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SummaryGeometryRelated PDB entries

A1CM0

Summary
Name:4-amino-1-methyl-N-(2-oxopiperidin-1-yl)-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
Formula:C24 H22 F3 N7 O2
Formal charge:0
Formula weight:497.472 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.524-amino-1-methyl-N-(2-oxopiperidin-1-yl)-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
OpenEye OEToolkits3.1.0.04-azanyl-1-methyl-~{N}-(2-oxidanylidenepiperidin-1-yl)-~{N}-[[5-(trifluoromethyl)pyridin-2-yl]methyl]pyrazolo[4,3-c]quinoline-8-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Cn1ncc2c1c1cc(ccc1nc2N)C(=O)N(Cc1ccc(cn1)C(F)(F)F)N1CCCCC1=O
InChIInChI1.06InChI=1S/C24H22F3N7O2/c1-32-21-17-10-14(5-8-19(17)31-22(28)18(21)12-30-32)23(36)34(33-9-3-2-4-20(33)35)13-16-7-6-15(11-29-16)24(25,26)27/h5-8,10-12H,2-4,9,13H2,1H3,(H2,28,31)
InChIKeyInChI1.06IKOBOQYTKCBCMM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1ncc2c(N)nc3ccc(cc3c12)C(=O)N(Cc4ccc(cn4)C(F)(F)F)N5CCCCC5=O
SMILESCACTVS3.385Cn1ncc2c(N)nc3ccc(cc3c12)C(=O)N(Cc4ccc(cn4)C(F)(F)F)N5CCCCC5=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cn1c2c3cc(ccc3nc(c2cn1)N)C(=O)N(Cc4ccc(cn4)C(F)(F)F)N5CCCCC5=O
SMILESOpenEye OEToolkits3.1.0.0Cn1c2c3cc(ccc3nc(c2cn1)N)C(=O)N(Cc4ccc(cn4)C(F)(F)F)N5CCCCC5=O

250835

PDB entries from 2026-03-18

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