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A1DFJ

Summary
Name:(3M)-3-[(8R)-3-cyclopropyl-2-(furan-2-yl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid
Formula:C20 H15 N3 O4
Formal charge:0
Formula weight:361.351 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(3M)-3-[(8R)-3-cyclopropyl-2-(furan-2-yl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid
OpenEye OEToolkits3.1.0.03-[3-cyclopropyl-2-(furan-2-yl)-7-oxidanylidene-4~{H}-pyrazolo[1,5-a]pyrimidin-5-yl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(O)c1cccc(c1)C=1Nc2n(nc(c3ccco3)c2C2CC2)C(=O)C=1
InChIInChI1.06InChI=1S/C20H15N3O4/c24-16-10-14(12-3-1-4-13(9-12)20(25)26)21-19-17(11-6-7-11)18(22-23(16)19)15-5-2-8-27-15/h1-5,8-11,21H,6-7H2,(H,25,26)
InChIKeyInChI1.06KOEOFZTZNAIEEA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1cccc(c1)C2=CC(=O)n3nc(c4occc4)c(C5CC5)c3N2
SMILESCACTVS3.385OC(=O)c1cccc(c1)C2=CC(=O)n3nc(c4occc4)c(C5CC5)c3N2
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(cc(c1)C(=O)O)C2=CC(=O)n3c(c(c(n3)c4ccco4)C5CC5)N2
SMILESOpenEye OEToolkits3.1.0.0c1cc(cc(c1)C(=O)O)C2=CC(=O)n3c(c(c(n3)c4ccco4)C5CC5)N2

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PDB entries from 2026-08-05

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