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Summary Geometry Related PDB entries

A1L5Q

Summary

Name:	ethyl 4-[2-methyl-7-oxidanyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
Formula:	C22 H23 F3 N4 O3
Formal charge:	0
Formula weight:	448.438 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	ethyl 4-[2-methyl-7-oxidanyl-3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C22H23F3N4O3/c1-3-32-21(31)28-10-8-14(9-11-28)17-12-18(30)29-20(26-17)19(13(2)27-29)15-4-6-16(7-5-15)22(23,24)25/h4-7,12,14,30H,3,8-11H2,1-2H3
InChIKey	InChI	1.06	JCCIFATWQJZIDU-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CCOC(=O)N1CCC(CC1)c2cc(O)n3nc(C)c(c4ccc(cc4)C(F)(F)F)c3n2
SMILES	CACTVS	3.385	CCOC(=O)N1CCC(CC1)c2cc(O)n3nc(C)c(c4ccc(cc4)C(F)(F)F)c3n2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCOC(=O)N1CCC(CC1)c2cc(n3c(n2)c(c(n3)C)c4ccc(cc4)C(F)(F)F)O
SMILES	OpenEye OEToolkits	2.0.7	CCOC(=O)N1CCC(CC1)c2cc(n3c(n2)c(c(n3)C)c4ccc(cc4)C(F)(F)F)O

250059

PDB entries from 2026-03-04

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