N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(2-methylpropyl)benzamide

C95H116ClF3N16O6 — CID 161241670

About N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(2-methylpropyl)benzamide

N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(2-methylpropyl)benzamide (PubChem CID 161241670) has the molecular formula C95H116ClF3N16O6 and a molecular weight of 1670.53 g/mol. Its IUPAC name is N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(2-methylpropyl)benzamide
• PubChem CID: 161241670
• Molecular Formula: C95H116ClF3N16O6
• Molecular Weight: 1670.53 g/mol
• Exact Mass: 1668.89
• IUPAC Name: N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(2-methylpropyl)benzamide
• SMILES: C=CCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(Cl)c1.CCCCCc1ccc(C(=O)N(CCCC)Cc2nc3cccnc3n2CCC)cc1.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccccc1C(F)(F)F.COc1ccc(OC)c(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)c1
• InChI: InChI=1S/C26H36N4O.C25H32N4O3.C24H27F3N4O.C20H21ClN4O/c1-4-7-9-11-21-13-15-22(16-14-21)26(31)29(19-8-5-2)20-24-28-23-12-10-17-27-25(23)30(24)18-6-3;1-17(2)15-28(25(30)20-14-19(31-3)11-12-22(20)32-4)16-23-27-21-10-7-13-26-24(21)29(23)18-8-5-6-9-18;1-2-3-15-30(23(32)18-11-6-7-12-19(18)24(25,26)27)16-21-29-20-13-8-14-28-22(20)31(21)17-9-4-5-10-17;1-3-11-24(20(26)15-7-5-8-16(21)13-15)14-18-23-17-9-6-10-22-19(17)25(18)12-4-2/h10,12-17H,4-9,11,18-20H2,1-3H3;7,10-14,17-18H,5-6,8-9,15-16H2,1-4H3;6-8,11-14,17H,2-5,9-10,15-16H2,1H3;3,5-10,13H,1,4,11-12,14H2,2H3
• InChIKey: VABZYQAPQRJSRQ-UHFFFAOYSA-N
• XLogP: 21.21
• TPSA: 222.54 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1670.53
LogP ≤ 5	21.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(2-methylpropyl)benzamide?

The IUPAC name of N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(2-methylpropyl)benzamide (CID 161241670) is N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(2-methylpropyl)benzamide.

What is the SMILES notation for N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(2-methylpropyl)benzamide?

The canonical SMILES for N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(2-methylpropyl)benzamide is C=CCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(Cl)c1.CCCCCc1ccc(C(=O)N(CCCC)Cc2nc3cccnc3n2CCC)cc1.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccccc1C(F)(F)F.COc1ccc(OC)c(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)c1.

What is the InChIKey of N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(2-methylpropyl)benzamide?

The InChIKey is VABZYQAPQRJSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O.C25H32N4O3.C24H27F3N4O.C20H21ClN4O/c1-4-7-9-11-21-13-15-22(16-14-21)26(31)29(19-8-5-2)20-24-28-23-12-10-17-27-25(23)30(24)18-6-3;1-17(2)15-28(25(30)20-14-19(31-3)11-12-22(20)32-4)16-23-27-21-10-7-13-26-24(21)29(23)18-8-5-6-9-18;1-2-3-15-30(23(32)18-11-6-7-12-19(18)24(25,26)27)16-21-29-20-13-8-14-28-22(20)31(21)17-9-4-5-10-17;1-3-11-24(20(26)15-7-5-8-16(21)13-15)14-18-23-17-9-6-10-22-19(17)25(18)12-4-2/h10,12-17H,4-9,11,18-20H2,1-3H3;7,10-14,17-18H,5-6,8-9,15-16H2,1-4H3;6-8,11-14,17H,2-5,9-10,15-16H2,1H3;3,5-10,13H,1,4,11-12,14H2,2H3.

What are the key properties of N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(2-methylpropyl)benzamide?

N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(2-methylpropyl)benzamide has a molecular weight of 1670.53 g/mol, XLogP of 21.21, 34 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-butyl-4-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 161241670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).