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0T8

Summary
Name:4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide
Formula:C24 H33 N7 O2
Formal charge:0
Formula weight:451.565 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-{[2-(pyridin-4-yl)ethyl]amino}pyrimidine-5-carboxamide
OpenEye OEToolkits1.7.64-(cyclopentylamino)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C4N(CCCNC(=O)c2cnc(nc2NC1CCCC1)NCCc3ccncc3)CCC4
InChIInChI1.03InChI=1S/C24H33N7O2/c32-21-7-3-15-31(21)16-4-11-26-23(33)20-17-28-24(27-14-10-18-8-12-25-13-9-18)30-22(20)29-19-5-1-2-6-19/h8-9,12-13,17,19H,1-7,10-11,14-16H2,(H,26,33)(H2,27,28,29,30)
InChIKeyInChI1.03GAAYKHMHVHFOKV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370O=C1CCCN1CCCNC(=O)c2cnc(NCCc3ccncc3)nc2NC4CCCC4
SMILESCACTVS3.370O=C1CCCN1CCCNC(=O)c2cnc(NCCc3ccncc3)nc2NC4CCCC4
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cnccc1CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O
SMILESOpenEye OEToolkits1.7.6c1cnccc1CCNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O

217705

PDB entries from 2024-03-27

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