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Summary Geometry Related PDB entries

A1I4G

Summary

Name:	3-ethoxy-~{N}-methyl-~{N}-[(1~{R})-1-(4-methyl-1~{H}-pyrazolo[4,3-c]pyridin-7-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide
Formula:	C23 H25 N5 O2 S
Formal charge:	0
Formula weight:	435.542 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	3-ethoxy-~{N}-methyl-~{N}-[(1~{R})-1-(4-methyl-1~{H}-pyrazolo[4,3-c]pyridin-7-yl)ethyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C23H25N5O2S/c1-6-30-20-9-16(7-8-17(20)22-26-13(2)12-31-22)23(29)28(5)15(4)19-10-24-14(3)18-11-25-27-21(18)19/h7-12,15H,6H2,1-5H3,(H,25,27)/t15-/m1/s1
InChIKey	InChI	1.06	MFSJYCVXQNOKQW-OAHLLOKOSA-N
SMILES_CANONICAL	CACTVS	3.385	CCOc1cc(ccc1c2scc(C)n2)C(=O)N(C)[C@H](C)c3cnc(C)c4cn[nH]c34
SMILES	CACTVS	3.385	CCOc1cc(ccc1c2scc(C)n2)C(=O)N(C)[CH](C)c3cnc(C)c4cn[nH]c34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCOc1cc(ccc1c2nc(cs2)C)C(=O)N(C)[C@H](C)c3cnc(c4c3[nH]nc4)C
SMILES	OpenEye OEToolkits	2.0.7	CCOc1cc(ccc1c2nc(cs2)C)C(=O)N(C)C(C)c3cnc(c4c3[nH]nc4)C

259015

PDB entries from 2026-09-02

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