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

C112H133Cl2F5N20O5S — CID 158147668

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

N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluorobenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methylbenzamide;N-butyl-3,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;3-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 158147668) has the molecular formula C112H133Cl2F5N20O5S and a molecular weight of 2037.39 g/mol. Its IUPAC name is N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluorobenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methylbenzamide;N-butyl-3,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;3-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluorobenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methylbenzamide;N-butyl-3,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;3-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
• PubChem CID: 158147668
• Molecular Formula: C112H133Cl2F5N20O5S
• Molecular Weight: 2037.39 g/mol
• Exact Mass: 2034.98
• IUPAC Name: N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluorobenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methylbenzamide;N-butyl-3,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;3-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
• SMILES: CC(C)CN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(F)c1F.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cc(F)ccc1C.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(F)c1F.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(Cl)c(Cl)c1.CCCn1c(CN(CCC(C)C)C(=O)c2sccc2C)nc2cccnc21
• InChI: InChI=1S/C24H29FN4O.2C23H26F2N4O.C21H24Cl2N4O.C21H28N4OS/c1-3-4-14-28(24(30)20-15-18(25)12-11-17(20)2)16-22-27-21-10-7-13-26-23(21)29(22)19-8-5-6-9-19;1-15(2)13-28(23(30)17-9-5-10-18(24)21(17)25)14-20-27-19-11-6-12-26-22(19)29(20)16-7-3-4-8-16;1-2-3-14-28(23(30)17-10-6-11-18(24)21(17)25)15-20-27-19-12-7-13-26-22(19)29(20)16-8-4-5-9-16;1-3-5-12-26(21(28)15-8-9-16(22)17(23)13-15)14-19-25-18-7-6-10-24-20(18)27(19)11-4-2;1-5-11-25-18(23-17-7-6-10-22-20(17)25)14-24(12-8-15(2)3)21(26)19-16(4)9-13-27-19/h7,10-13,15,19H,3-6,8-9,14,16H2,1-2H3;5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3;6-7,10-13,16H,2-5,8-9,14-15H2,1H3;6-10,13H,3-5,11-12,14H2,1-2H3;6-7,9-10,13,15H,5,8,11-12,14H2,1-4H3
• InChIKey: FUSDSMKXEDKYSF-UHFFFAOYSA-N
• XLogP: 26.32
• TPSA: 255.10 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 36
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2037.39
LogP ≤ 5	26.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluorobenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methylbenzamide;N-butyl-3,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;3-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide (CID 158147668) is N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluorobenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methylbenzamide;N-butyl-3,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;3-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide.

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

The canonical SMILES for N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluorobenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methylbenzamide;N-butyl-3,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;3-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide is CC(C)CN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(F)c1F.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cc(F)ccc1C.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(F)c1F.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(Cl)c(Cl)c1.CCCn1c(CN(CCC(C)C)C(=O)c2sccc2C)nc2cccnc21.

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

The InChIKey is FUSDSMKXEDKYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O.2C23H26F2N4O.C21H24Cl2N4O.C21H28N4OS/c1-3-4-14-28(24(30)20-15-18(25)12-11-17(20)2)16-22-27-21-10-7-13-26-23(21)29(22)19-8-5-6-9-19;1-15(2)13-28(23(30)17-9-5-10-18(24)21(17)25)14-20-27-19-11-6-12-26-22(19)29(20)16-7-3-4-8-16;1-2-3-14-28(23(30)17-10-6-11-18(24)21(17)25)15-20-27-19-12-7-13-26-22(19)29(20)16-8-4-5-9-16;1-3-5-12-26(21(28)15-8-9-16(22)17(23)13-15)14-19-25-18-7-6-10-24-20(18)27(19)11-4-2;1-5-11-25-18(23-17-7-6-10-22-20(17)25)14-24(12-8-15(2)3)21(26)19-16(4)9-13-27-19/h7,10-13,15,19H,3-6,8-9,14,16H2,1-2H3;5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3;6-7,10-13,16H,2-5,8-9,14-15H2,1H3;6-10,13H,3-5,11-12,14H2,1-2H3;6-7,9-10,13,15H,5,8,11-12,14H2,1-4H3.

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

N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluorobenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methylbenzamide;N-butyl-3,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;3-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 2037.39 g/mol, XLogP of 26.32, 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]-2,3-difluorobenzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methylbenzamide;N-butyl-3,4-dichloro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,3-difluoro-N-(2-methylpropyl)benzamide;3-methyl-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 158147668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).