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

C117H141Cl2F7N20O5 — CID 157337754

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

N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexylbenzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 157337754) has the molecular formula C117H141Cl2F7N20O5 and a molecular weight of 2111.44 g/mol. Its IUPAC name is N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexylbenzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexylbenzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 157337754
• Molecular Formula: C117H141Cl2F7N20O5
• Molecular Weight: 2111.44 g/mol
• Exact Mass: 2109.07
• IUPAC Name: N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexylbenzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide
• SMILES: CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(Cl)c1Cl.CCCCCCc1ccc(C(=O)N(CCCC)Cc2nc3cccnc3n2C2CCCC2)cc1.CCCn1c(CN(C)C(=O)c2cccc(F)c2)nc2cccnc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(C(F)(F)F)c2)nc2cccnc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccccc2C(F)(F)F)nc2cccnc21
• InChI: InChI=1S/C29H40N4O.C24H28Cl2N4O.2C23H27F3N4O.C18H19FN4O/c1-3-5-7-8-12-23-16-18-24(19-17-23)29(34)32(21-6-4-2)22-27-31-26-15-11-20-30-28(26)33(27)25-13-9-10-14-25;1-16(2)12-14-29(24(31)18-9-5-10-19(25)22(18)26)15-21-28-20-11-6-13-27-23(20)30(21)17-7-3-4-8-17;1-4-12-30-20(28-19-9-6-11-27-21(19)30)15-29(13-10-16(2)3)22(31)17-7-5-8-18(14-17)23(24,25)26;1-4-13-30-20(28-19-10-7-12-27-21(19)30)15-29(14-11-16(2)3)22(31)17-8-5-6-9-18(17)23(24,25)26;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/h11,15-20,25H,3-10,12-14,21-22H2,1-2H3;5-6,9-11,13,16-17H,3-4,7-8,12,14-15H2,1-2H3;5-9,11,14,16H,4,10,12-13,15H2,1-3H3;5-10,12,16H,4,11,13-15H2,1-3H3;4-9,11H,3,10,12H2,1-2H3
• InChIKey: BGAPEHRDLBSFRB-UHFFFAOYSA-N
• XLogP: 28.00
• TPSA: 255.10 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 40
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2111.44
LogP ≤ 5	28.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexylbenzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexylbenzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide (CID 157337754) is N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexylbenzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide.

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

The canonical SMILES for N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexylbenzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide is CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(Cl)c1Cl.CCCCCCc1ccc(C(=O)N(CCCC)Cc2nc3cccnc3n2C2CCCC2)cc1.CCCn1c(CN(C)C(=O)c2cccc(F)c2)nc2cccnc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(C(F)(F)F)c2)nc2cccnc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccccc2C(F)(F)F)nc2cccnc21.

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

The InChIKey is BGAPEHRDLBSFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O.C24H28Cl2N4O.2C23H27F3N4O.C18H19FN4O/c1-3-5-7-8-12-23-16-18-24(19-17-23)29(34)32(21-6-4-2)22-27-31-26-15-11-20-30-28(26)33(27)25-13-9-10-14-25;1-16(2)12-14-29(24(31)18-9-5-10-19(25)22(18)26)15-21-28-20-11-6-13-27-23(20)30(21)17-7-3-4-8-17;1-4-12-30-20(28-19-9-6-11-27-21(19)30)15-29(13-10-16(2)3)22(31)17-7-5-8-18(14-17)23(24,25)26;1-4-13-30-20(28-19-10-7-12-27-21(19)30)15-29(14-11-16(2)3)22(31)17-8-5-6-9-18(17)23(24,25)26;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/h11,15-20,25H,3-10,12-14,21-22H2,1-2H3;5-6,9-11,13,16-17H,3-4,7-8,12,14-15H2,1-2H3;5-9,11,14,16H,4,10,12-13,15H2,1-3H3;5-10,12,16H,4,11,13-15H2,1-3H3;4-9,11H,3,10,12H2,1-2H3.

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

N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexylbenzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2111.44 g/mol, XLogP of 28.00, 40 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-hexylbenzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 157337754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).