3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-pentylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-chloro-4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C96H118Br3ClN16O5 — CID 158185046

About 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-pentylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-chloro-4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-pentylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-chloro-4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 158185046) has the molecular formula C96H118Br3ClN16O5 and a molecular weight of 1851.27 g/mol. Its IUPAC name is 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-pentylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-chloro-4-methoxy-N-(3-methylbutyl)-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]-4-methyl-N-(2-methylpropyl)benzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-pentylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-chloro-4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 158185046
• Molecular Formula: C96H118Br3ClN16O5
• Molecular Weight: 1851.27 g/mol
• Exact Mass: 1846.67
• IUPAC Name: 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-pentylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-chloro-4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(C)c(Br)c1.CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(Br)c1.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(OC)c(Cl)c2)nc2cccnc21.Cc1ccc(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)cc1Br
• InChI: InChI=1S/C25H31BrN4O.2C24H29BrN4O.C23H29ClN4O2/c1-3-4-7-15-29(25(31)19-13-12-18(2)21(26)16-19)17-23-28-22-11-8-14-27-24(22)30(23)20-9-5-6-10-20;1-16(2)14-28(24(30)18-11-10-17(3)20(25)13-18)15-22-27-21-9-6-12-26-23(21)29(22)19-7-4-5-8-19;1-2-3-6-15-28(24(30)18-9-7-10-19(25)16-18)17-22-27-21-13-8-14-26-23(21)29(22)20-11-4-5-12-20;1-5-12-28-21(26-19-7-6-11-25-22(19)28)15-27(13-10-16(2)3)23(29)17-8-9-20(30-4)18(24)14-17/h8,11-14,16,20H,3-7,9-10,15,17H2,1-2H3;6,9-13,16,19H,4-5,7-8,14-15H2,1-3H3;7-10,13-14,16,20H,2-6,11-12,15,17H2,1H3;6-9,11,14,16H,5,10,12-13,15H2,1-4H3
• InChIKey: FZAUEKAYEIUOSC-UHFFFAOYSA-N
• XLogP: 23.70
• TPSA: 213.31 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 31
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1851.27
LogP ≤ 5	23.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-pentylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-chloro-4-methoxy-N-(3-methylbutyl)-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]-4-methyl-N-(2-methylpropyl)benzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-pentylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-chloro-4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 158185046) is 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-pentylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-chloro-4-methoxy-N-(3-methylbutyl)-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]-4-methyl-N-(2-methylpropyl)benzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-pentylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-chloro-4-methoxy-N-(3-methylbutyl)-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]-4-methyl-N-(2-methylpropyl)benzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-pentylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-chloro-4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(C)c(Br)c1.CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(Br)c1.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(OC)c(Cl)c2)nc2cccnc21.Cc1ccc(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)cc1Br.

What is the InChIKey of 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-pentylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-chloro-4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is FZAUEKAYEIUOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31BrN4O.2C24H29BrN4O.C23H29ClN4O2/c1-3-4-7-15-29(25(31)19-13-12-18(2)21(26)16-19)17-23-28-22-11-8-14-27-24(22)30(23)20-9-5-6-10-20;1-16(2)14-28(24(30)18-11-10-17(3)20(25)13-18)15-22-27-21-9-6-12-26-23(21)29(22)19-7-4-5-8-19;1-2-3-6-15-28(24(30)18-9-7-10-19(25)16-18)17-22-27-21-13-8-14-26-23(21)29(22)20-11-4-5-12-20;1-5-12-28-21(26-19-7-6-11-25-22(19)28)15-27(13-10-16(2)3)23(29)17-8-9-20(30-4)18(24)14-17/h8,11-14,16,20H,3-7,9-10,15,17H2,1-2H3;6,9-13,16,19H,4-5,7-8,14-15H2,1-3H3;7-10,13-14,16,20H,2-6,11-12,15,17H2,1H3;6-9,11,14,16H,5,10,12-13,15H2,1-4H3.

What are the key properties of 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-pentylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-chloro-4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-pentylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-chloro-4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 1851.27 g/mol, XLogP of 23.70, 31 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methyl-N-pentylbenzamide;3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;3-chloro-4-methoxy-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 158185046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).