3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,4-dimethylbenzamide;2-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide;N-(3-methylbutyl)-4-methylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C94H116BrClN16O4S — CID 161290322

About 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,4-dimethylbenzamide;2-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide;N-(3-methylbutyl)-4-methylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,4-dimethylbenzamide;2-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide;N-(3-methylbutyl)-4-methylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 161290322) has the molecular formula C94H116BrClN16O4S and a molecular weight of 1681.49 g/mol. Its IUPAC name is 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,4-dimethylbenzamide;2-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide;N-(3-methylbutyl)-4-methylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,4-dimethylbenzamide;2-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide;N-(3-methylbutyl)-4-methylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 161290322
• Molecular Formula: C94H116BrClN16O4S
• Molecular Weight: 1681.49 g/mol
• Exact Mass: 1678.80
• IUPAC Name: 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,4-dimethylbenzamide;2-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide;N-(3-methylbutyl)-4-methylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: CC(C)CCN(Cc1nc2cccnc2n1CC1CC1)C(=O)Cc1ccccc1Cl.CCCCCCc1ccc(C(=O)N(CCC)Cc2nc3cccnc3n2CC2CC2)cc1.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(SC)cc2)nc2cccnc21.Cc1ccc(C(=O)N(C)Cc2nc3cccnc3n2CC2CC2)cc1Br
• InChI: InChI=1S/C27H36N4O.C24H29ClN4O.C23H30N4OS.C20H21BrN4O/c1-3-5-6-7-9-21-13-15-23(16-14-21)27(32)30(18-4-2)20-25-29-24-10-8-17-28-26(24)31(25)19-22-11-12-22;1-17(2)11-13-28(23(30)14-19-6-3-4-7-20(19)25)16-22-27-21-8-5-12-26-24(21)29(22)15-18-9-10-18;1-5-14-27-21(25-20-7-6-13-24-22(20)27)16-26(15-12-17(2)3)23(28)18-8-10-19(29-4)11-9-18;1-13-5-8-15(10-16(13)21)20(26)24(2)12-18-23-17-4-3-9-22-19(17)25(18)11-14-6-7-14/h8,10,13-17,22H,3-7,9,11-12,18-20H2,1-2H3;3-8,12,17-18H,9-11,13-16H2,1-2H3;6-11,13,17H,5,12,14-16H2,1-4H3;3-5,8-10,14H,6-7,11-12H2,1-2H3
• InChIKey: VGGKHTYGBFDALX-UHFFFAOYSA-N
• XLogP: 20.56
• TPSA: 204.08 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 35
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1681.49
LogP ≤ 5	20.56
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-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,4-dimethylbenzamide;2-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide;N-(3-methylbutyl)-4-methylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,4-dimethylbenzamide;2-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide;N-(3-methylbutyl)-4-methylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 161290322) is 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,4-dimethylbenzamide;2-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide;N-(3-methylbutyl)-4-methylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

What is the SMILES notation for 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,4-dimethylbenzamide;2-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide;N-(3-methylbutyl)-4-methylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The canonical SMILES for 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,4-dimethylbenzamide;2-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide;N-(3-methylbutyl)-4-methylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CC(C)CCN(Cc1nc2cccnc2n1CC1CC1)C(=O)Cc1ccccc1Cl.CCCCCCc1ccc(C(=O)N(CCC)Cc2nc3cccnc3n2CC2CC2)cc1.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(SC)cc2)nc2cccnc21.Cc1ccc(C(=O)N(C)Cc2nc3cccnc3n2CC2CC2)cc1Br.

What is the InChIKey of 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,4-dimethylbenzamide;2-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide;N-(3-methylbutyl)-4-methylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is VGGKHTYGBFDALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O.C24H29ClN4O.C23H30N4OS.C20H21BrN4O/c1-3-5-6-7-9-21-13-15-23(16-14-21)27(32)30(18-4-2)20-25-29-24-10-8-17-28-26(24)31(25)19-22-11-12-22;1-17(2)11-13-28(23(30)14-19-6-3-4-7-20(19)25)16-22-27-21-8-5-12-26-24(21)29(22)15-18-9-10-18;1-5-14-27-21(25-20-7-6-13-24-22(20)27)16-26(15-12-17(2)3)23(28)18-8-10-19(29-4)11-9-18;1-13-5-8-15(10-16(13)21)20(26)24(2)12-18-23-17-4-3-9-22-19(17)25(18)11-14-6-7-14/h8,10,13-17,22H,3-7,9,11-12,18-20H2,1-2H3;3-8,12,17-18H,9-11,13-16H2,1-2H3;6-11,13,17H,5,12,14-16H2,1-4H3;3-5,8-10,14H,6-7,11-12H2,1-2H3.

What are the key properties of 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,4-dimethylbenzamide;2-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide;N-(3-methylbutyl)-4-methylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,4-dimethylbenzamide;2-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide;N-(3-methylbutyl)-4-methylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 1681.49 g/mol, XLogP of 20.56, 35 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,4-dimethylbenzamide;2-(2-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-4-hexyl-N-propylbenzamide;N-(3-methylbutyl)-4-methylsulfanyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 161290322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).