N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide

C94H116F6N16O4 — CID 158651985

About N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide

N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 158651985) has the molecular formula C94H116F6N16O4 and a molecular weight of 1648.06 g/mol. Its IUPAC name is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

• Compound Name: N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide
• PubChem CID: 158651985
• Molecular Formula: C94H116F6N16O4
• Molecular Weight: 1648.06 g/mol
• Exact Mass: 1646.93
• IUPAC Name: N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide
• SMILES: CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(F)c(F)c1.CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)C1=C(C)C=CC1.CCCn1c(CN(CCC(C)C)C(=O)c2ccccc2C(F)(F)F)nc2cccnc21.Cc1c(F)cccc1C(=O)N(CCC(C)C)Cc1nc2cccnc2n1C1CCCC1
• InChI: InChI=1S/C25H31FN4O.C24H28F2N4O.C23H27F3N4O.C22H30N4O/c1-17(2)13-15-29(25(31)20-10-6-11-21(26)18(20)3)16-23-28-22-12-7-14-27-24(22)30(23)19-8-4-5-9-19;1-16(2)11-13-29(24(31)17-9-10-19(25)20(26)14-17)15-22-28-21-8-5-12-27-23(21)30(22)18-6-3-4-7-18;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;1-4-6-7-15-25(22(27)18-11-8-10-17(18)3)16-20-24-19-12-9-13-23-21(19)26(20)14-5-2/h6-7,10-12,14,17,19H,4-5,8-9,13,15-16H2,1-3H3;5,8-10,12,14,16,18H,3-4,6-7,11,13,15H2,1-2H3;5-10,12,16H,4,11,13-15H2,1-3H3;8-10,12-13H,4-7,11,14-16H2,1-3H3
• InChIKey: IBQZXWPTRKQADH-UHFFFAOYSA-N
• XLogP: 21.38
• TPSA: 204.08 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 31
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1648.06
LogP ≤ 5	21.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide?

The IUPAC name of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide (CID 158651985) is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide.

What is the SMILES notation for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide?

The canonical SMILES for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide is CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(F)c(F)c1.CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)C1=C(C)C=CC1.CCCn1c(CN(CCC(C)C)C(=O)c2ccccc2C(F)(F)F)nc2cccnc21.Cc1c(F)cccc1C(=O)N(CCC(C)C)Cc1nc2cccnc2n1C1CCCC1.

What is the InChIKey of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide?

The InChIKey is IBQZXWPTRKQADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O.C24H28F2N4O.C23H27F3N4O.C22H30N4O/c1-17(2)13-15-29(25(31)20-10-6-11-21(26)18(20)3)16-23-28-22-12-7-14-27-24(22)30(23)19-8-4-5-9-19;1-16(2)11-13-29(24(31)17-9-10-19(25)20(26)14-17)15-22-28-21-8-5-12-27-23(21)30(22)18-6-3-4-7-18;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;1-4-6-7-15-25(22(27)18-11-8-10-17(18)3)16-20-24-19-12-9-13-23-21(19)26(20)14-5-2/h6-7,10-12,14,17,19H,4-5,8-9,13,15-16H2,1-3H3;5,8-10,12,14,16,18H,3-4,6-7,11,13,15H2,1-2H3;5-10,12,16H,4,11,13-15H2,1-3H3;8-10,12-13H,4-7,11,14-16H2,1-3H3.

What are the key properties of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide?

N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 1648.06 g/mol, XLogP of 21.38, 31 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-2-methyl-N-(3-methylbutyl)benzamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide;2-methyl-N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 158651985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).