2-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;2-(3-methoxyphenyl)-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]acetamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide

C91H104Cl2F2N16O7S — CID 159808867

About 2-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;2-(3-methoxyphenyl)-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]acetamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide

2-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;2-(3-methoxyphenyl)-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]acetamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 159808867) has the molecular formula C91H104Cl2F2N16O7S and a molecular weight of 1674.91 g/mol. Its IUPAC name is 2-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;2-(3-methoxyphenyl)-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]acetamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;2-(3-methoxyphenyl)-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]acetamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
• PubChem CID: 159808867
• Molecular Formula: C91H104Cl2F2N16O7S
• Molecular Weight: 1674.91 g/mol
• Exact Mass: 1672.73
• IUPAC Name: 2-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;2-(3-methoxyphenyl)-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]acetamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
• SMILES: CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1c(F)cccc1Cl.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc2c(c1)OCO2.CCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(OC)c2)nc2cccnc21.CCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2sccc2Cl)nc2cccnc21
• InChI: InChI=1S/C24H28ClFN4O.C24H32N4O2.C22H20ClFN4OS.C21H24N4O3/c1-16(2)12-14-29(24(31)22-18(25)9-5-10-19(22)26)15-21-28-20-11-6-13-27-23(20)30(21)17-7-3-4-8-17;1-5-13-28-22(26-21-10-7-12-25-24(21)28)17-27(14-11-18(2)3)23(29)16-19-8-6-9-20(15-19)30-4;1-2-11-28-19(26-18-4-3-10-25-21(18)28)14-27(13-15-5-7-16(24)8-6-15)22(29)20-17(23)9-12-30-20;1-3-10-24(21(26)15-7-8-17-18(12-15)28-14-27-17)13-19-23-16-6-5-9-22-20(16)25(19)11-4-2/h5-6,9-11,13,16-17H,3-4,7-8,12,14-15H2,1-2H3;6-10,12,15,18H,5,11,13-14,16-17H2,1-4H3;3-10,12H,2,11,13-14H2,1H3;5-9,12H,3-4,10-11,13-14H2,1-2H3
• InChIKey: NKTJBPNBPHQWIL-UHFFFAOYSA-N
• XLogP: 19.66
• TPSA: 231.77 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 31
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1674.91
LogP ≤ 5	19.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;2-(3-methoxyphenyl)-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]acetamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?

The IUPAC name of 2-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;2-(3-methoxyphenyl)-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]acetamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 159808867) is 2-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;2-(3-methoxyphenyl)-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]acetamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for 2-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;2-(3-methoxyphenyl)-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]acetamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for 2-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;2-(3-methoxyphenyl)-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]acetamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide is CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1c(F)cccc1Cl.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc2c(c1)OCO2.CCCn1c(CN(CCC(C)C)C(=O)Cc2cccc(OC)c2)nc2cccnc21.CCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2sccc2Cl)nc2cccnc21.

What is the InChIKey of 2-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;2-(3-methoxyphenyl)-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]acetamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?

The InChIKey is NKTJBPNBPHQWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClFN4O.C24H32N4O2.C22H20ClFN4OS.C21H24N4O3/c1-16(2)12-14-29(24(31)22-18(25)9-5-10-19(22)26)15-21-28-20-11-6-13-27-23(20)30(21)17-7-3-4-8-17;1-5-13-28-22(26-21-10-7-12-25-24(21)28)17-27(14-11-18(2)3)23(29)16-19-8-6-9-20(15-19)30-4;1-2-11-28-19(26-18-4-3-10-25-21(18)28)14-27(13-15-5-7-16(24)8-6-15)22(29)20-17(23)9-12-30-20;1-3-10-24(21(26)15-7-8-17-18(12-15)28-14-27-17)13-19-23-16-6-5-9-22-20(16)25(19)11-4-2/h5-6,9-11,13,16-17H,3-4,7-8,12,14-15H2,1-2H3;6-10,12,15,18H,5,11,13-14,16-17H2,1-4H3;3-10,12H,2,11,13-14H2,1H3;5-9,12H,3-4,10-11,13-14H2,1-2H3.

What are the key properties of 2-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;2-(3-methoxyphenyl)-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]acetamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?

2-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;2-(3-methoxyphenyl)-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]acetamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 1674.91 g/mol, XLogP of 19.66, 31 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-6-fluoro-N-(3-methylbutyl)benzamide;3-chloro-N-[(4-fluorophenyl)methyl]-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide;2-(3-methoxyphenyl)-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]acetamide;N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 159808867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).