
 SCHEMBL17334340

 41 44  0  0  0  0  0  0  0  0999 V2000
   -2.1318    0.5307   -0.0148 C   0  0  0  0  0
   -1.0000    1.0739    0.8504 C   0  0  0  0  0
    0.2063    0.3515    0.5413 N   0  0  0  0  0
    0.1961   -0.9416    0.1261 C   0  0  0  0  0
    1.5246   -1.2885    0.0247 C   0  0  0  0  0
    2.2477   -0.1031    0.3089 C   0  0  0  0  0
    1.4231    0.9107    0.6314 N   0  0  0  0  0
    3.7381    0.1021    0.1767 C   0  0  0  0  0
    4.1845    0.7508   -1.0654 N   0  0  0  0  0
    3.9726   -0.0326   -2.2227 C   0  0  0  0  0
    3.8994    0.5812   -3.4848 C   0  0  0  0  0
    3.6852   -0.2019   -4.6192 C   0  0  0  0  0
    3.5713   -1.5791   -4.4832 C   0  0  0  0  0
    3.6944   -2.1172   -3.2162 C   0  0  0  0  0
    3.9043   -1.3806   -2.1016 N   0  0  0  0  0
    4.0046    2.2956   -3.6712 Cl  0  0  0  0  0
   -1.0050   -1.6942   -0.1353 C   0  0  0  0  0
   -0.9295   -2.8853   -0.4223 O   0  0  0  0  0
   -2.2120   -0.9473   -0.0690 N   0  0  0  0  0
   -3.4935   -1.5579   -0.3431 C   0  0  0  0  0
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    3.6743    1.6264   -1.1766 H   0  0  0  0  0
    3.6002    0.2566   -5.5996 H   0  0  0  0  0
    3.3947   -2.2172   -5.3418 H   0  0  0  0  0
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   -6.6685   -0.7817   -1.4006 H   0  0  0  0  0
   -4.5138    0.2743   -0.9673 H   0  0  0  0  0
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  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
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  2 30  1  0  0  0
  3  4  1  0  0  0
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  4 17  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6  7  2  0  0  0
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  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17334340

>  <PubChem CID>
118575099

>  <Formula>
C18H15ClFN5O

>  <Molecular Weight>
371.800000

>  <IUPAC Name>
2-[[(3-chloropyridin-2-yl)amino]methyl]-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN2C(=CC(=N2)CNC3=C(C=CC=N3)Cl)C(=O)N1C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CN2C(=CC(=N2)CNC3=C(C=CC=N3)Cl)C(=O)N1C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C18H15ClFN5O/c19-15-2-1-7-21-17(15)22-11-13-10-16-18(26)24(8-9-25(16)23-13)14-5-3-12(20)4-6-14/h1-7,10H,8-9,11H2,(H,21,22)

>  <InChI Key>
DMHNRJGFVBNVHE-UHFFFAOYSA-N

