
 CHEMBL3899595

 82 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3899595

>  <PubChem CID>
134134380

>  <Formula>
C33H42N6O

>  <Molecular Weight>
538.740000

>  <IUPAC Name>
2-(3,5-dimethyl-2H-indazol-4-yl)-4-[(3S,4S)-4-methoxy-3-methylpiperidin-1-yl]-6-(2-methyl-5-propan-2-ylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1CN(CCC1OC)C2=NC(=NC3=C2CN(CC3)C4=C(C=CC(=C4)C(C)C)C)C5=C(C=CC6=NNC(=C65)C)C

>  <Isomeric SMILES>
C[C@H]1CN(CC[C@@H]1OC)C2=NC(=NC3=C2CN(CC3)C4=C(C=CC(=C4)C(C)C)C)C5=C(C=CC6=NNC(=C65)C)C

>  <InChI Std. ID>
InChI=1S/C33H42N6O/c1-19(2)24-10-8-20(3)28(16-24)38-14-12-26-25(18-38)33(39-15-13-29(40-7)22(5)17-39)35-32(34-26)30-21(4)9-11-27-31(30)23(6)36-37-27/h8-11,16,19,22,29H,12-15,17-18H2,1-7H3,(H,36,37)/t22-,29-/m0/s1

>  <InChI Key>
BSVQZQJKSVHJKW-ZTOMLWHTSA-N

