
 CHEMBL3617645

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.0244   -0.3421    0.2450 C   0  0  0  0  0
    2.4651    0.0718   -0.0508 C   0  0  0  0  0
    3.4766   -1.0415    0.2543 C   0  0  0  0  0
    3.6555   -1.2789    1.7008 N   0  0  0  0  0
    3.7468   -0.1747    2.5819 C   0  0  0  0  0
    4.0862   -0.2565    3.7585 O   0  0  0  0  0
    3.4451    1.0977    1.9720 C   0  0  0  0  0
    3.6682    2.3937    2.3860 C   0  0  0  0  0
    3.2182    3.2133    1.3168 C   0  0  0  0  0
    2.7011    2.4743    0.3197 N   0  0  0  0  0
    2.8509    1.2167    0.7535 N   0  0  0  0  0
    3.2749    4.7092    1.2238 C   0  0  0  0  0
    4.6160    5.1788    1.4086 O   0  0  0  0  0
    4.7286    6.5455    1.2605 C   0  0  0  0  0
    3.6196    7.2948    1.0660 N   0  0  0  0  0
    3.8068    8.6278    0.9233 C   0  0  0  0  0
    5.0470    9.2440    0.9741 C   0  0  0  0  0
    6.1708    8.4518    1.1842 C   0  0  0  0  0
    6.0083    7.0742    1.3313 C   0  0  0  0  0
    5.1977   10.9424    0.7835 Cl  0  0  0  0  0
    4.1007   -2.5727    2.1293 C   0  0  0  0  0
    4.9215   -3.3829    1.3224 C   0  0  0  0  0
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    0.7347   -1.2048   -0.3632 H   0  0  0  0  0
    0.3322    0.4772    0.0200 H   0  0  0  0  0
    0.8820   -0.6063    1.2989 H   0  0  0  0  0
    2.5506    0.3601   -1.1054 H   0  0  0  0  0
    3.1465   -1.9657   -0.2345 H   0  0  0  0  0
    4.4571   -0.7569   -0.1492 H   0  0  0  0  0
    4.1346    2.7055    3.3114 H   0  0  0  0  0
    2.6242    5.1229    2.0048 H   0  0  0  0  0
    2.9037    5.0177    0.2373 H   0  0  0  0  0
    2.8986    9.2010    0.7615 H   0  0  0  0  0
    7.1614    8.8917    1.2320 H   0  0  0  0  0
    6.8634    6.4265    1.4938 H   0  0  0  0  0
    6.0415   -5.2130    1.1343 H   0  0  0  0  0
    3.8627   -4.7084    4.7910 H   0  0  0  0  0
    3.0709   -2.4931    4.0399 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
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  2 11  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3617645

>  <PubChem CID>
122190422

>  <Formula>
C19H15ClF2N4O2

>  <Molecular Weight>
404.802000

>  <IUPAC Name>
(7R)-2-[(5-chloropyridin-2-yl)oxymethyl]-5-(2,4-difluorophenyl)-7-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(C(=O)C2=CC(=NN12)COC3=NC=C(C=C3)Cl)C4=C(C=C(C=C4)F)F

>  <Isomeric SMILES>
C[C@@H]1CN(C(=O)C2=CC(=NN12)COC3=NC=C(C=C3)Cl)C4=C(C=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C19H15ClF2N4O2/c1-11-9-25(16-4-3-13(21)6-15(16)22)19(27)17-7-14(24-26(11)17)10-28-18-5-2-12(20)8-23-18/h2-8,11H,9-10H2,1H3/t11-/m1/s1

>  <InChI Key>
DEYTYOJBAMNYIF-LLVKDONJSA-N

