N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide

C89H105F5N16O6S — CID 160917574

About N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide

N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide (PubChem CID 160917574) has the molecular formula C89H105F5N16O6S and a molecular weight of 1621.98 g/mol. Its IUPAC name is N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide
• PubChem CID: 160917574
• Molecular Formula: C89H105F5N16O6S
• Molecular Weight: 1621.98 g/mol
• Exact Mass: 1620.80
• IUPAC Name: N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide
• SMILES: CC(C)CN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc2c(c1)OCO2.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(F)c(F)c1.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(C(F)(F)F)c1.CCCn1c(CN(CCC(C)C)C(=O)c2ccsc2)nc2cccnc21
• InChI: InChI=1S/C24H28N4O3.C23H26F2N4O.C22H25F3N4O.C20H26N4OS/c1-16(2)13-27(24(29)17-9-10-20-21(12-17)31-15-30-20)14-22-26-19-8-5-11-25-23(19)28(22)18-6-3-4-7-18;1-2-3-13-28(23(30)16-10-11-18(24)19(25)14-16)15-21-27-20-9-6-12-26-22(20)29(21)17-7-4-5-8-17;1-3-5-13-28(21(30)16-8-6-9-17(14-16)22(23,24)25)15-19-27-18-10-7-11-26-20(18)29(19)12-4-2;1-4-10-24-18(22-17-6-5-9-21-19(17)24)13-23(11-7-15(2)3)20(25)16-8-12-26-14-16/h5,8-12,16,18H,3-4,6-7,13-15H2,1-2H3;6,9-12,14,17H,2-5,7-8,13,15H2,1H3;6-11,14H,3-5,12-13,15H2,1-2H3;5-6,8-9,12,14-15H,4,7,10-11,13H2,1-3H3
• InChIKey: SRPKNPSJDFRLRS-UHFFFAOYSA-N
• XLogP: 19.73
• TPSA: 222.54 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 29
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1621.98
LogP ≤ 5	19.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide?

The IUPAC name of N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide (CID 160917574) is N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide.

What is the SMILES notation for N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide?

The canonical SMILES for N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide is CC(C)CN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc2c(c1)OCO2.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(F)c(F)c1.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(C(F)(F)F)c1.CCCn1c(CN(CCC(C)C)C(=O)c2ccsc2)nc2cccnc21.

What is the InChIKey of N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide?

The InChIKey is SRPKNPSJDFRLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3.C23H26F2N4O.C22H25F3N4O.C20H26N4OS/c1-16(2)13-27(24(29)17-9-10-20-21(12-17)31-15-30-20)14-22-26-19-8-5-11-25-23(19)28(22)18-6-3-4-7-18;1-2-3-13-28(23(30)16-10-11-18(24)19(25)14-16)15-21-27-20-9-6-12-26-22(20)29(21)17-7-4-5-8-17;1-3-5-13-28(21(30)16-8-6-9-17(14-16)22(23,24)25)15-19-27-18-10-7-11-26-20(18)29(19)12-4-2;1-4-10-24-18(22-17-6-5-9-21-19(17)24)13-23(11-7-15(2)3)20(25)16-8-12-26-14-16/h5,8-12,16,18H,3-4,6-7,13-15H2,1-2H3;6,9-12,14,17H,2-5,7-8,13,15H2,1H3;6-11,14H,3-5,12-13,15H2,1-2H3;5-6,8-9,12,14-15H,4,7,10-11,13H2,1-3H3.

What are the key properties of N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide?

N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide has a molecular weight of 1621.98 g/mol, XLogP of 19.73, 29 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3,4-difluorobenzamide;N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide;N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 160917574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).