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SummaryGeometryRelated PDB entries

A1CMZ

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

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52FC(F)(F)c1ccc(nc1)CN(N(C)C(=O)C1CC1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1
InChIInChI1.06InChI=1S/C24H22F3N7O2/c1-32-20-17-9-14(5-8-19(17)31-21(28)18(20)11-30-32)23(36)34(33(2)22(35)13-3-4-13)12-16-7-6-15(10-29-16)24(25,26)27/h5-11,13H,3-4,12H2,1-2H3,(H2,28,31)
InChIKeyInChI1.06IRMKUPMMVSHMDO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cn1ncc2c(N)nc3ccc(cc3c12)C(=O)N(Cc4ccc(cn4)C(F)(F)F)N(C)C(=O)C5CC5
SMILESCACTVS3.385Cn1ncc2c(N)nc3ccc(cc3c12)C(=O)N(Cc4ccc(cn4)C(F)(F)F)N(C)C(=O)C5CC5
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cn1c2c3cc(ccc3nc(c2cn1)N)C(=O)N(Cc4ccc(cn4)C(F)(F)F)N(C)C(=O)C5CC5
SMILESOpenEye OEToolkits3.1.0.0Cn1c2c3cc(ccc3nc(c2cn1)N)C(=O)N(Cc4ccc(cn4)C(F)(F)F)N(C)C(=O)C5CC5

250359

PDB entries from 2026-03-11

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