0TA

2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one

Created:2012-06-04
Last modified:  2013-04-03

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count44
Aromatic Bond Count11
2D diagram of 0TA

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Toggle HydrogenToggle Labels

Chemical Component Summary

Name2-amino-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
Systematic Name (OpenEye OEToolkits)2-azanyl-8-cyclopentyl-4-methyl-6-(1H-pyrazol-4-yl)pyrido[2,3-d]pyrimidin-7-one
FormulaC16 H18 N6 O
Molecular Weight310.354
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2N(c1nc(nc(c1C=C2c3cnnc3)C)N)C4CCCC4
SMILESCACTVS3.370Cc1nc(N)nc2N(C3CCCC3)C(=O)C(=Cc12)c4c[nH]nc4
SMILESOpenEye OEToolkits1.7.6Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3c[nH]nc3)C4CCCC4
Canonical SMILESCACTVS3.370 Cc1nc(N)nc2N(C3CCCC3)C(=O)C(=Cc12)c4c[nH]nc4
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1c2c(nc(n1)N)N(C(=O)C(=C2)c3c[nH]nc3)C4CCCC4
InChIInChI1.03 InChI=1S/C16H18N6O/c1-9-12-6-13(10-7-18-19-8-10)15(23)22(11-4-2-3-5-11)14(12)21-16(17)20-9/h6-8,11H,2-5H2,1H3,(H,18,19)(H2,17,20,21)
InChIKeyInChI1.03 VMGMCPMGGFUNMP-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2057726
PubChem 59258964
ChEMBL CHEMBL2057726