N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-pentylbenzamide;3,4-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide

C92H113Cl2F3N16O4S — CID 158545704

About N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-pentylbenzamide;3,4-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide

N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-pentylbenzamide;3,4-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 158545704) has the molecular formula C92H113Cl2F3N16O4S and a molecular weight of 1666.99 g/mol. Its IUPAC name is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-pentylbenzamide;3,4-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-pentylbenzamide;3,4-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
• PubChem CID: 158545704
• Molecular Formula: C92H113Cl2F3N16O4S
• Molecular Weight: 1666.99 g/mol
• Exact Mass: 1664.82
• IUPAC Name: N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-pentylbenzamide;3,4-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
• SMILES: CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(F)c1F.CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cc(F)ccc1C.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)s2)nc2cccnc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(Cl)c(Cl)c2)nc2cccnc21
• InChI: InChI=1S/C25H31FN4O.C24H28F2N4O.C22H26Cl2N4O.C21H28N4OS/c1-3-4-7-15-29(25(31)21-16-19(26)13-12-18(21)2)17-23-28-22-11-8-14-27-24(22)30(23)20-9-5-6-10-20;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;1-4-11-28-20(26-19-6-5-10-25-21(19)28)14-27(12-9-15(2)3)22(29)16-7-8-17(23)18(24)13-16;1-5-12-25-19(23-17-7-6-11-22-20(17)25)14-24(13-10-15(2)3)21(26)18-9-8-16(4)27-18/h8,11-14,16,20H,3-7,9-10,15,17H2,1-2H3;5-6,9-11,13,16-17H,3-4,7-8,12,14-15H2,1-2H3;5-8,10,13,15H,4,9,11-12,14H2,1-3H3;6-9,11,15H,5,10,12-14H2,1-4H3
• InChIKey: HPBVWIMCAOSOTH-UHFFFAOYSA-N
• XLogP: 22.08
• TPSA: 204.08 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 31
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1666.99
LogP ≤ 5	22.08
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 N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-pentylbenzamide;3,4-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide?

The IUPAC name of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-pentylbenzamide;3,4-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide (CID 158545704) is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-pentylbenzamide;3,4-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide.

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

The canonical SMILES for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-pentylbenzamide;3,4-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide is CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(F)c1F.CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cc(F)ccc1C.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(C)s2)nc2cccnc21.CCCn1c(CN(CCC(C)C)C(=O)c2ccc(Cl)c(Cl)c2)nc2cccnc21.

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

The InChIKey is HPBVWIMCAOSOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O.C24H28F2N4O.C22H26Cl2N4O.C21H28N4OS/c1-3-4-7-15-29(25(31)21-16-19(26)13-12-18(21)2)17-23-28-22-11-8-14-27-24(22)30(23)20-9-5-6-10-20;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;1-4-11-28-20(26-19-6-5-10-25-21(19)28)14-27(12-9-15(2)3)22(29)16-7-8-17(23)18(24)13-16;1-5-12-25-19(23-17-7-6-11-22-20(17)25)14-24(13-10-15(2)3)21(26)18-9-8-16(4)27-18/h8,11-14,16,20H,3-7,9-10,15,17H2,1-2H3;5-6,9-11,13,16-17H,3-4,7-8,12,14-15H2,1-2H3;5-8,10,13,15H,4,9,11-12,14H2,1-3H3;6-9,11,15H,5,10,12-14H2,1-4H3.

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

N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-pentylbenzamide;3,4-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 1666.99 g/mol, XLogP of 22.08, 31 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-pentylbenzamide;3,4-dichloro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;5-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 158545704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).