2-cyclohexyl-6-(6-methoxy-3-phenylpyrrolo[2,3-b]pyridin-1-yl)-N-(pyridin-2-ylmethyl)hexanamide

Update Time: 2025-04-25 16:33:36

	Common Name	2-cyclohexyl-6-(6-methoxy-3-phenylpyrrolo[2,3-b]pyridin-1-yl)-N-(pyridin-2-ylmethyl)hexanamide	English Name	2-cyclohexyl-6-(6-methoxy-3-phenylpyrrolo[2,3-b]pyridin-1-yl)-N-(pyridin-2-ylmethyl)hexanamide
	CAS NO.	N/A	Molecular Weight	510.7
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₃₂H₃₈N₄O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	2-cyclohexyl-6-(6-methoxy-3-phenylpyrrolo[2,3-b]pyridin-1-yl)-N-(pyridin-2-ylmethyl)hexanamide

Molecular Formula	C32H38N4O2
Molecular Weight	510.7
Exact Mass	510.29947647
LogP	6.70
Standard SMILES	COc1ccc2c(-c3ccccc3)cn(CCCCC(C(=O)NCc3ccccn3)C3CCCCC3)c2n1
Canonical SMILES	COC1=NC2=C(C=C1)C(=CN2CCCCC(C3CCCCC3)C(=O)NCC4=CC=CC=N4)C5=CC=CC=C5
Isomeric SMILES	COC1=NC2=C(C=C1)C(=CN2CCCCC(C3CCCCC3)C(=O)NCC4=CC=CC=N4)C5=CC=CC=C5
Standard InChI Identifier	InChI=1S/C32H38N4O2/c1-38-30-19-18-28-29(25-14-6-3-7-15-25)23-36(31(28)35-30)21-11-9-17-27(24-12-4-2-5-13-24)32(37)34-22-26-16-8-10-20-33-26/h3,6-8,10,14-16,18-20,23-24,27H,2,4-5,9,11-13,17,21-22H2,1H3,(H,34,37)
Standard InChI Key	BUXRJRYXONRCCV-UHFFFAOYSA-N
Compound Complexity	708.00
computational chemistry	Hydrogen Bond Acceptor Count：4 Hydrogen Bond Donor Count：1 Rotatable Bond Count：11 Heavy Atom Count：38 Total Chiral Atom Count：1 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：1 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：510.29947647