N8-(isoquinolin-6-ylmethyl)-N3-[(2R)-1-oxidanylbutan-2-yl]-2-thiophen-3-yl-imidazo[1,2-a]pyridine-3,8-dicarboxamide

Systemtic Name: N8-(isoquinolin-6-ylmethyl)-N3-[(2R)-1-oxidanylbutan-2-yl]-2-thiophen-3-yl-imidazo[1,2-a]pyridine-3,8-dicarboxamide Openeye Name: N3-[(1R)-1-(hydroxymethyl)propyl]-N8-(6-isoquinolylmethyl)-2-(3-thienyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide CAS Name: N3-[(2R)-1-hydroxybutan-2-yl]-N8-(6-isoquinolinylmethyl)-2-(3-thiophenyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide IUPAC Name: 3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-(isoquinolin-6-ylmethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide Traditional Name: N'-(6-isoquinolylmethyl)-N-[(1R)-1-methylolpropyl]-2-(3-thienyl)imidazo[1,2-a]pyridine-3,8-dicarboxamide Formula: C27H25N5O3S MolecularWeight: 499.5841

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=O)C1=C(N=C2N1C=CC=C2C(=O)NCC3=CC4=C(C=C3)C=NC=C4)C5=CSC=C5

Isomeric SMILES

CC[C@H](CO)NC(=O)C1=C(N=C2N1C=CC=C2C(=O)NCC3=CC4=C(C=C3)C=NC=C4)C5=CSC=C5

InChI

InChI=1S/C27H25N5O3S/c1-2-21(15-33)30-27(35)24-23(20-8-11-36-16-20)31-25-22(4-3-10-32(24)25)26(34)29-13-17-5-6-19-14-28-9-7-18(19)12-17/h3-12,14,16,21,33H,2,13,15H2,1H3,(H,29,34)(H,30,35)/t21-/m1/s1