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Summary Geometry Related PDB entries

YAB

Summary

Name:	(8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2S)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
Formula:	C18 H19 Cl N4 O
Formal charge:	0
Formula weight:	342.823 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2S)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
OpenEye OEToolkits	2.0.7	3-(4-chlorophenyl)-5-methyl-~{N}-[[(2~{S})-oxolan-2-yl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1ccc(cc1)c1cnn2c(NCC3CCCO3)cc(C)nc21
InChI	InChI	1.06	InChI=1S/C18H19ClN4O/c1-12-9-17(20-10-15-3-2-8-24-15)23-18(22-12)16(11-21-23)13-4-6-14(19)7-5-13/h4-7,9,11,15,20H,2-3,8,10H2,1H3
InChIKey	InChI	1.06	OTWBEJZSLGHWCR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(NC[C@@H]2CCCO2)n3ncc(c4ccc(Cl)cc4)c3n1
SMILES	CACTVS	3.385	Cc1cc(NC[CH]2CCCO2)n3ncc(c4ccc(Cl)cc4)c3n1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)Cl)NC[C@@H]4CCCO4
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)Cl)NCC4CCCO4

250835

PDB entries from 2026-03-18

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