
 CHEMBL568916

 44 46  0  0  0  0  0  0  0  0999 V2000
    5.3385    7.0325    4.6512 C   0  0  0  0  0
    6.1178    5.8332    4.1353 C   0  0  0  0  0
    7.6280    6.0668    4.2200 C   0  0  0  0  0
    8.4302    4.8371    3.8020 C   0  0  0  0  0
    8.2568    4.4997    2.3371 C   0  0  0  0  0
    7.5428    3.5762    1.9604 O   0  0  0  0  0
    8.9556    5.3139    1.4829 N   0  0  0  0  0
    8.8532    5.1626    0.0498 C   0  0  0  0  0
   10.0960    5.6863   -0.6211 C   0  0  0  0  0
   11.3188    5.0145   -0.4413 C   0  0  0  0  0
   12.4855    5.5209   -1.0410 C   0  0  0  0  0
   12.4307    6.7072   -1.7704 C   0  0  0  0  0
   11.2056    7.3551   -2.0125 C   0  0  0  0  0
   10.0499    6.8319   -1.4207 C   0  0  0  0  0
   13.7469    6.9736   -2.1468 N   0  0  0  0  0
   14.5711    5.9245   -1.8709 N   0  0  0  0  0
   13.8234    5.0997   -1.1406 C   0  0  0  0  0
   14.2981    8.1636   -2.7058 C   0  0  0  0  0
   13.6751    9.4080   -2.5313 C   0  0  0  0  0
   14.2545   10.5620   -3.0658 C   0  0  0  0  0
   15.4498   10.4715   -3.7685 C   0  0  0  0  0
   16.0893    9.2500   -3.9363 C   0  0  0  0  0
   15.5219    8.0945   -3.3941 C   0  0  0  0  0
   15.9997   11.5817   -4.2771 F   0  0  0  0  0
    4.2627    6.8484    4.5689 H   0  0  0  0  0
    5.5749    7.9321    4.0741 H   0  0  0  0  0
    5.5700    7.2271    5.7032 H   0  0  0  0  0
    5.8234    5.6408    3.0974 H   0  0  0  0  0
    5.8431    4.9480    4.7205 H   0  0  0  0  0
    7.8960    6.3200    5.2532 H   0  0  0  0  0
    7.9006    6.9284    3.5989 H   0  0  0  0  0
    8.1436    3.9631    4.3981 H   0  0  0  0  0
    9.4965    5.0100    3.9922 H   0  0  0  0  0
    9.4199    6.1365    1.8439 H   0  0  0  0  0
    7.9645    5.7168   -0.2728 H   0  0  0  0  0
    8.6971    4.1111   -0.2167 H   0  0  0  0  0
   11.3600    4.1015    0.1489 H   0  0  0  0  0
   11.1328    8.2259   -2.6559 H   0  0  0  0  0
    9.1009    7.3361   -1.5985 H   0  0  0  0  0
   14.2763    4.2056   -0.7318 H   0  0  0  0  0
   12.7773    9.5237   -1.9326 H   0  0  0  0  0
   13.7901   11.5326   -2.9220 H   0  0  0  0  0
   17.0264    9.2027   -4.4818 H   0  0  0  0  0
   16.0341    7.1429   -3.5289 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 12  2  0  0  0
 11 17  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 38  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 23 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL568916

>  <PubChem CID>
45270098

>  <Formula>
C19H20FN3O

>  <Molecular Weight>
325.387000

>  <IUPAC Name>
N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]pentanamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCCC(=O)NCC1=CC2=C(C=C1)N(N=C2)C3=CC=C(C=C3)F

>  <Isomeric SMILES>
CCCCC(=O)NCC1=CC2=C(C=C1)N(N=C2)C3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C19H20FN3O/c1-2-3-4-19(24)21-12-14-5-10-18-15(11-14)13-22-23(18)17-8-6-16(20)7-9-17/h5-11,13H,2-4,12H2,1H3,(H,21,24)

>  <InChI Key>
AGEHOAYDTWSQIS-UHFFFAOYSA-N

