2-bromo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-4-pentylbenzamide;3-iodo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C92H110BrF4IN16O4 — CID 160700733

About 2-bromo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-4-pentylbenzamide;3-iodo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

2-bromo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-4-pentylbenzamide;3-iodo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 160700733) has the molecular formula C92H110BrF4IN16O4 and a molecular weight of 1786.80 g/mol. Its IUPAC name is 2-bromo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-4-pentylbenzamide;3-iodo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 2-bromo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-4-pentylbenzamide;3-iodo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 160700733
• Molecular Formula: C92H110BrF4IN16O4
• Molecular Weight: 1786.80 g/mol
• Exact Mass: 1784.71
• IUPAC Name: 2-bromo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-4-pentylbenzamide;3-iodo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: CC(C)CN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1F.CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccccc1Br.CCCCCc1ccc(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)cc1.CCCn1c(CN(C)C(=O)c2cccc(I)c2)nc2cccnc21
• InChI: InChI=1S/C28H38N4O.C24H26F4N4O.C22H27BrN4O.C18H19IN4O/c1-4-5-6-10-22-14-16-23(17-15-22)28(33)31(19-21(2)3)20-26-30-25-13-9-18-29-27(25)32(26)24-11-7-8-12-24;1-15(2)13-31(23(33)17-9-5-10-18(21(17)25)24(26,27)28)14-20-30-19-11-6-12-29-22(19)32(20)16-7-3-4-8-16;1-3-5-8-15-26(22(28)17-10-6-7-11-18(17)23)16-20-25-19-12-9-13-24-21(19)27(20)14-4-2;1-3-10-23-16(21-15-8-5-9-20-17(15)23)12-22(2)18(24)13-6-4-7-14(19)11-13/h9,13-18,21,24H,4-8,10-12,19-20H2,1-3H3;5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3;6-7,9-13H,3-5,8,14-16H2,1-2H3;4-9,11H,3,10,12H2,1-2H3
• InChIKey: RQORKCSQDQODRX-UHFFFAOYSA-N
• XLogP: 21.73
• TPSA: 204.08 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 30
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1786.80
LogP ≤ 5	21.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-4-pentylbenzamide;3-iodo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of 2-bromo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-4-pentylbenzamide;3-iodo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 160700733) is 2-bromo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-4-pentylbenzamide;3-iodo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

What is the SMILES notation for 2-bromo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-4-pentylbenzamide;3-iodo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The canonical SMILES for 2-bromo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-4-pentylbenzamide;3-iodo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CC(C)CN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1F.CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccccc1Br.CCCCCc1ccc(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)cc1.CCCn1c(CN(C)C(=O)c2cccc(I)c2)nc2cccnc21.

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

The InChIKey is RQORKCSQDQODRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O.C24H26F4N4O.C22H27BrN4O.C18H19IN4O/c1-4-5-6-10-22-14-16-23(17-15-22)28(33)31(19-21(2)3)20-26-30-25-13-9-18-29-27(25)32(26)24-11-7-8-12-24;1-15(2)13-31(23(33)17-9-5-10-18(21(17)25)24(26,27)28)14-20-30-19-11-6-12-29-22(19)32(20)16-7-3-4-8-16;1-3-5-8-15-26(22(28)17-10-6-7-11-18(17)23)16-20-25-19-12-9-13-24-21(19)27(20)14-4-2;1-3-10-23-16(21-15-8-5-9-20-17(15)23)12-22(2)18(24)13-6-4-7-14(19)11-13/h9,13-18,21,24H,4-8,10-12,19-20H2,1-3H3;5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3;6-7,9-13H,3-5,8,14-16H2,1-2H3;4-9,11H,3,10,12H2,1-2H3.

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

2-bromo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-4-pentylbenzamide;3-iodo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 1786.80 g/mol, XLogP of 21.73, 30 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-N-(2-methylpropyl)-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-4-pentylbenzamide;3-iodo-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 160700733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).