3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-ethyl-4-methylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C86H102Br3ClN16O5S — CID 158853409

About 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-ethyl-4-methylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-ethyl-4-methylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 158853409) has the molecular formula C86H102Br3ClN16O5S and a molecular weight of 1747.10 g/mol. Its IUPAC name is 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-ethyl-4-methylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-ethyl-4-methylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 158853409
• Molecular Formula: C86H102Br3ClN16O5S
• Molecular Weight: 1747.10 g/mol
• Exact Mass: 1742.52
• IUPAC Name: 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-ethyl-4-methylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(Br)c1.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cc(Cl)ccc1OC.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(Br)s1.CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(C)c(Br)c1
• InChI: InChI=1S/C24H29BrN4O.C22H25BrN4O.C22H27ClN4O2.C18H21BrN4OS/c1-17(2)12-14-28(24(30)18-7-5-8-19(25)15-18)16-22-27-21-11-6-13-26-23(21)29(22)20-9-3-4-10-20;1-3-26(22(28)16-11-10-15(2)18(23)13-16)14-20-25-19-9-6-12-24-21(19)27(20)17-7-4-5-8-17;1-4-6-13-26(22(28)17-14-16(23)9-10-19(17)29-3)15-20-25-18-8-7-11-24-21(18)27(20)12-5-2;1-3-10-22(18(24)14-7-8-15(19)25-14)12-16-21-13-6-5-9-20-17(13)23(16)11-4-2/h5-8,11,13,15,17,20H,3-4,9-10,12,14,16H2,1-2H3;6,9-13,17H,3-5,7-8,14H2,1-2H3;7-11,14H,4-6,12-13,15H2,1-3H3;5-9H,3-4,10-12H2,1-2H3
• InChIKey: IZSZLCUSKFERAZ-UHFFFAOYSA-N
• XLogP: 20.94
• TPSA: 213.31 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1747.10
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-ethyl-4-methylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-ethyl-4-methylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 158853409) is 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-ethyl-4-methylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

What is the SMILES notation for 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-ethyl-4-methylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The canonical SMILES for 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-ethyl-4-methylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(Br)c1.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cc(Cl)ccc1OC.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(Br)s1.CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(C)c(Br)c1.

What is the InChIKey of 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-ethyl-4-methylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is IZSZLCUSKFERAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O.C22H25BrN4O.C22H27ClN4O2.C18H21BrN4OS/c1-17(2)12-14-28(24(30)18-7-5-8-19(25)15-18)16-22-27-21-11-6-13-26-23(21)29(22)20-9-3-4-10-20;1-3-26(22(28)16-11-10-15(2)18(23)13-16)14-20-25-19-9-6-12-24-21(19)27(20)17-7-4-5-8-17;1-4-6-13-26(22(28)17-14-16(23)9-10-19(17)29-3)15-20-25-18-8-7-11-24-21(18)27(20)12-5-2;1-3-10-22(18(24)14-7-8-15(19)25-14)12-16-21-13-6-5-9-20-17(13)23(16)11-4-2/h5-8,11,13,15,17,20H,3-4,9-10,12,14,16H2,1-2H3;6,9-13,17H,3-5,7-8,14H2,1-2H3;7-11,14H,4-6,12-13,15H2,1-3H3;5-9H,3-4,10-12H2,1-2H3.

What are the key properties of 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-ethyl-4-methylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-ethyl-4-methylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 1747.10 g/mol, XLogP of 20.94, 28 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-ethyl-4-methylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;5-bromo-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;N-butyl-5-chloro-2-methoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 158853409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).