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A1BPI

Summary
Name:(3S)-1-[(2-methyl-2H-indazol-4-yl)acetyl]pyrrolidine-3-carboxamide
Formula:C15 H18 N4 O2
Formal charge:0
Formula weight:286.329 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3S)-1-[(2-methyl-2H-indazol-4-yl)acetyl]pyrrolidine-3-carboxamide
OpenEye OEToolkits3.1.0.0(3~{S})-1-[2-(2-methylindazol-4-yl)ethanoyl]pyrrolidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NC(=O)C1CCN(C1)C(=O)Cc1cccc2nn(C)cc12
InChIInChI1.06InChI=1S/C15H18N4O2/c1-18-9-12-10(3-2-4-13(12)17-18)7-14(20)19-6-5-11(8-19)15(16)21/h2-4,9,11H,5-8H2,1H3,(H2,16,21)/t11-/m0/s1
InChIKeyInChI1.06BRQFGLOHPDECRA-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385Cn1cc2c(CC(=O)N3CC[C@@H](C3)C(N)=O)cccc2n1
SMILESCACTVS3.385Cn1cc2c(CC(=O)N3CC[CH](C3)C(N)=O)cccc2n1
SMILES_CANONICALOpenEye OEToolkits3.1.0.0Cn1cc2c(cccc2n1)CC(=O)N3CC[C@@H](C3)C(=O)N
SMILESOpenEye OEToolkits3.1.0.0Cn1cc2c(cccc2n1)CC(=O)N3CCC(C3)C(=O)N

248636

PDB entries from 2026-02-04

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