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

C114H131Cl5F4N20O6 — CID 161139988

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

N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide;2,5-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,5-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 161139988) has the molecular formula C114H131Cl5F4N20O6 and a molecular weight of 2130.69 g/mol. Its IUPAC name is N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide;2,5-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,5-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide;2,5-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,5-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 161139988
• Molecular Formula: C114H131Cl5F4N20O6
• Molecular Weight: 2130.69 g/mol
• Exact Mass: 2126.89
• IUPAC Name: N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide;2,5-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,5-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: C=CCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccccc1F.CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cc(Cl)ccc1Cl.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1.CCCn1c(CN(CC(C)C)C(=O)c2cc(Cl)ccc2Cl)nc2cccnc21.COc1cc(Cl)ccc1C(=O)N(CCC(C)C)Cc1nc2cccnc2n1C1CCCC1
• InChI: InChI=1S/C25H31ClN4O2.C24H28Cl2N4O.C24H27F3N4O.C21H24Cl2N4O.C20H21FN4O/c1-17(2)12-14-29(25(31)20-11-10-18(26)15-22(20)32-3)16-23-28-21-9-6-13-27-24(21)30(23)19-7-4-5-8-19;1-16(2)11-13-29(24(31)19-14-17(25)9-10-20(19)26)15-22-28-21-8-5-12-27-23(21)30(22)18-6-3-4-7-18;1-2-3-14-30(23(32)17-8-6-9-18(15-17)24(25,26)27)16-21-29-20-12-7-13-28-22(20)31(21)19-10-4-5-11-19;1-4-10-27-19(25-18-6-5-9-24-20(18)27)13-26(12-14(2)3)21(28)16-11-15(22)7-8-17(16)23;1-3-12-24(20(26)15-8-5-6-9-16(15)21)14-18-23-17-10-7-11-22-19(17)25(18)13-4-2/h6,9-11,13,15,17,19H,4-5,7-8,12,14,16H2,1-3H3;5,8-10,12,14,16,18H,3-4,6-7,11,13,15H2,1-2H3;6-9,12-13,15,19H,2-5,10-11,14,16H2,1H3;5-9,11,14H,4,10,12-13H2,1-3H3;3,5-11H,1,4,12-14H2,2H3
• InChIKey: UNHSMHFCWOBOJO-UHFFFAOYSA-N
• XLogP: 27.70
• TPSA: 264.33 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 36
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2130.69
LogP ≤ 5	27.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'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]-3-(trifluoromethyl)benzamide;4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide;2,5-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,5-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide;2,5-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,5-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 161139988) is N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide;2,5-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,5-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

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

The canonical SMILES for N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide;2,5-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,5-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is C=CCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccccc1F.CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cc(Cl)ccc1Cl.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1.CCCn1c(CN(CC(C)C)C(=O)c2cc(Cl)ccc2Cl)nc2cccnc21.COc1cc(Cl)ccc1C(=O)N(CCC(C)C)Cc1nc2cccnc2n1C1CCCC1.

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

The InChIKey is UNHSMHFCWOBOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O2.C24H28Cl2N4O.C24H27F3N4O.C21H24Cl2N4O.C20H21FN4O/c1-17(2)12-14-29(25(31)20-11-10-18(26)15-22(20)32-3)16-23-28-21-9-6-13-27-24(21)30(23)19-7-4-5-8-19;1-16(2)11-13-29(24(31)19-14-17(25)9-10-20(19)26)15-22-28-21-8-5-12-27-23(21)30(22)18-6-3-4-7-18;1-2-3-14-30(23(32)17-8-6-9-18(15-17)24(25,26)27)16-21-29-20-12-7-13-28-22(20)31(21)19-10-4-5-11-19;1-4-10-27-19(25-18-6-5-9-24-20(18)27)13-26(12-14(2)3)21(28)16-11-15(22)7-8-17(16)23;1-3-12-24(20(26)15-8-5-6-9-16(15)21)14-18-23-17-10-7-11-22-19(17)25(18)13-4-2/h6,9-11,13,15,17,19H,4-5,7-8,12,14,16H2,1-3H3;5,8-10,12,14,16,18H,3-4,6-7,11,13,15H2,1-2H3;6-9,12-13,15,19H,2-5,10-11,14,16H2,1H3;5-9,11,14H,4,10,12-13H2,1-3H3;3,5-11H,1,4,12-14H2,2H3.

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

N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide;2,5-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,5-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 2130.69 g/mol, XLogP of 27.70, 36 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide;2,5-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,5-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 161139988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).