
 BDBM50350339

 58 63  0  0  0  0  0  0  0  0999 V2000
   -0.7565   -1.5170    2.4242 C   0  0  0  0  0
    0.6670   -0.9722    2.5811 C   0  0  0  0  0
    1.5471   -1.6077    1.6250 N   0  0  0  0  0
    1.1060   -2.2584    0.4838 C   0  0  0  0  0
    2.1849   -2.6762   -0.1940 C   0  0  0  0  0
    3.3312   -2.2746    0.4549 N   0  0  0  0  0
    2.9608   -1.5734    1.6415 C   0  0  0  0  0
    3.6776   -1.0516    2.4746 O   0  0  0  0  0
    4.6691   -2.4849    0.0055 C   0  0  0  0  0
    5.0852   -2.0888   -1.3868 C   0  0  0  0  0
    5.6418   -1.3355   -0.2075 C   0  0  0  0  0
    7.0900   -1.4877    0.2058 C   0  0  0  0  0
    7.4737   -1.2595    1.5383 C   0  0  0  0  0
    8.8090   -1.3571    1.9426 C   0  0  0  0  0
    9.7941   -1.6948    1.0195 C   0  0  0  0  0
    9.4446   -1.9245   -0.3065 C   0  0  0  0  0
    8.1101   -1.8114   -0.7065 C   0  0  0  0  0
    2.1929   -3.3989   -1.3423 O   0  0  0  0  0
   -0.3479   -2.4207    0.1656 C   0  0  0  0  0
   -1.1443   -1.5130    1.0026 N   0  0  0  0  0
   -1.7945   -0.3838    0.5569 C   0  0  0  0  0
   -2.0318    0.5920    1.2504 O   0  0  0  0  0
   -2.2579   -0.4577   -0.7889 N   0  0  0  0  0
   -3.0064    0.5542   -1.4131 C   0  0  0  0  0
   -3.4566    1.7353   -0.8579 C   0  0  0  0  0
   -4.3552    2.2697   -1.7931 C   0  0  0  0  0
   -4.4616    1.5123   -2.8808 N   0  0  0  0  0
   -3.5313    0.5385   -2.7117 N   0  0  0  0  0
   -3.2192   -0.3251   -3.7966 C   0  0  0  0  0
   -4.1532   -0.4739   -4.8338 C   0  0  0  0  0
   -3.8601   -1.3037   -5.9091 C   0  0  0  0  0
   -2.6448   -1.9715   -5.9875 C   0  0  0  0  0
   -1.6987   -1.8011   -4.9773 C   0  0  0  0  0
   -1.9806   -0.9784   -3.8805 C   0  0  0  0  0
   -4.7617   -1.4611   -6.8858 F   0  0  0  0  0
   -0.8114   -2.5556    2.7734 H   0  0  0  0  0
   -1.4592   -0.9313    3.0261 H   0  0  0  0  0
    1.0509   -1.1327    3.5934 H   0  0  0  0  0
    0.6970    0.1045    2.3777 H   0  0  0  0  0
    5.0952   -3.4006    0.4114 H   0  0  0  0  0
    4.3879   -1.5465   -2.0162 H   0  0  0  0  0
    5.7097   -2.7861   -1.9308 H   0  0  0  0  0
    5.2381   -0.3352   -0.0545 H   0  0  0  0  0
    6.7178   -0.9868    2.2744 H   0  0  0  0  0
    9.0780   -1.1629    2.9778 H   0  0  0  0  0
   10.8327   -1.7706    1.3307 H   0  0  0  0  0
   10.2095   -2.1823   -1.0345 H   0  0  0  0  0
    7.8730   -1.9730   -1.7550 H   0  0  0  0  0
    3.1072   -3.7127   -1.4580 H   0  0  0  0  0
   -0.5139   -2.2391   -0.8978 H   0  0  0  0  0
   -0.6693   -3.4404    0.4042 H   0  0  0  0  0
   -2.1842   -1.3314   -1.2828 H   0  0  0  0  0
   -3.2523    2.1470    0.1194 H   0  0  0  0  0
   -4.9596    3.1660   -1.7126 H   0  0  0  0  0
   -5.1153    0.0341   -4.8192 H   0  0  0  0  0
   -2.4371   -2.6026   -6.8468 H   0  0  0  0  0
   -0.7305   -2.2903   -5.0627 H   0  0  0  0  0
   -1.1851   -0.8077   -3.1610 H   0  0  0  0  0
  1 20  1  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  1  0  0  0
  2 39  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4 19  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 11 43  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 44  1  0  0  0
 14 15  2  0  0  0
 14 45  1  0  0  0
 15 16  1  0  0  0
 15 46  1  0  0  0
 16 17  2  0  0  0
 16 47  1  0  0  0
 17 48  1  0  0  0
 18 49  1  0  0  0
 19 20  1  0  0  0
 19 50  1  0  0  0
 19 51  1  0  0  0
 20 21  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  1  0  0  0
 23 52  1  0  0  0
 24 25  2  0  0  0
 24 28  1  0  0  0
 25 26  1  0  0  0
 25 53  1  0  0  0
 26 27  2  0  0  0
 26 54  1  0  0  0
 27 28  1  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 31  1  0  0  0
 30 55  1  0  0  0
 31 32  2  0  0  0
 31 35  1  0  0  0
 32 33  1  0  0  0
 32 56  1  0  0  0
 33 34  2  0  0  0
 33 57  1  0  0  0
 34 58  1  0  0  0
M  END

>  <Chemical Name>
BDBM50350339

>  <PubChem CID>
91930748

>  <Formula>
C25H23FN6O3

>  <Molecular Weight>
474.496000

>  <IUPAC Name>
N-[2-(3-fluorophenyl)pyrazol-3-yl]-1-hydroxy-3-oxo-2-[(1S,2R)-2-phenylcyclopropyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN2C(=C(N(C2=O)C3CC3C4=CC=CC=C4)O)CN1C(=O)NC5=CC=NN5C6=CC(=CC=C6)F

>  <Isomeric SMILES>
C1CN2C(=C(N(C2=O)[C@H]3C[C@@H]3C4=CC=CC=C4)O)CN1C(=O)NC5=CC=NN5C6=CC(=CC=C6)F

>  <InChI Std. ID>
InChI=1S/C25H23FN6O3/c26-17-7-4-8-18(13-17)32-22(9-10-27-32)28-24(34)29-11-12-30-21(15-29)23(33)31(25(30)35)20-14-19(20)16-5-2-1-3-6-16/h1-10,13,19-20,33H,11-12,14-15H2,(H,28,34)/t19-,20+/m1/s1

>  <InChI Key>
BPMYUMVMMXCEIA-UXHICEINSA-N

