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Summary Geometry Related PDB entries

A1CDD

Summary

Name:	(8R)-N-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]-5-(piperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C16 H18 F2 N8 O
Formal charge:	0
Formula weight:	376.364 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(8R)-N-[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]-5-(piperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
OpenEye OEToolkits	3.1.0.0	~{N}-[3-[bis(fluoranyl)methyl]-1-methyl-pyrazol-4-yl]-5-piperazin-1-yl-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	FC(F)c1nn(C)cc1NC(=O)c1cnn2ccc(nc12)N1CCNCC1
InChI	InChI	1.06	InChI=1S/C16H18F2N8O/c1-24-9-11(13(23-24)14(17)18)21-16(27)10-8-20-26-5-2-12(22-15(10)26)25-6-3-19-4-7-25/h2,5,8-9,14,19H,3-4,6-7H2,1H3,(H,21,27)
InChIKey	InChI	1.06	IGVFLVOSQCTGLJ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cn1cc(NC(=O)c2cnn3ccc(nc23)N4CCNCC4)c(n1)C(F)F
SMILES	CACTVS	3.385	Cn1cc(NC(=O)c2cnn3ccc(nc23)N4CCNCC4)c(n1)C(F)F
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cn1cc(c(n1)C(F)F)NC(=O)c2cnn3c2nc(cc3)N4CCNCC4
SMILES	OpenEye OEToolkits	3.1.0.0	Cn1cc(c(n1)C(F)F)NC(=O)c2cnn3c2nc(cc3)N4CCNCC4

257179

PDB entries from 2026-07-29

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