2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluoro-N-(3-methylbutyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-prop-2-enylbenzamide;2-(3-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide

C112H132Cl3FN20O8S — CID 161181794

About 2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluoro-N-(3-methylbutyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-prop-2-enylbenzamide;2-(3-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide

2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluoro-N-(3-methylbutyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-prop-2-enylbenzamide;2-(3-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 161181794) has the molecular formula C112H132Cl3FN20O8S and a molecular weight of 2043.84 g/mol. Its IUPAC name is 2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluoro-N-(3-methylbutyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-prop-2-enylbenzamide;2-(3-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluoro-N-(3-methylbutyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-prop-2-enylbenzamide;2-(3-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
• PubChem CID: 161181794
• Molecular Formula: C112H132Cl3FN20O8S
• Molecular Weight: 2043.84 g/mol
• Exact Mass: 2040.93
• IUPAC Name: 2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluoro-N-(3-methylbutyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-prop-2-enylbenzamide;2-(3-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
• SMILES: C=CCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1cc(Cl)ccc1OC.CC(C)CCN(Cc1nc2cccnc2n1CC1CC1)C(=O)Cc1cccc(Cl)c1.CC(C)CCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1c(F)cccc1Cl.CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc2c(c1)OCO2.CCCN(Cc1nc2cccnc2n1CC(C)C)C(=O)c1ccc(C)s1
• InChI: InChI=1S/C24H29ClN4O.C23H26ClFN4O.C23H28N4O3.C22H23ClN4O2.C20H26N4OS/c1-17(2)10-12-28(23(30)14-19-5-3-6-20(25)13-19)16-22-27-21-7-4-11-26-24(21)29(22)15-18-8-9-18;1-15(2)10-12-28(23(30)21-17(24)5-3-6-18(21)25)14-20-27-19-7-4-11-26-22(19)29(20)13-16-8-9-16;1-3-5-6-13-26(23(28)17-9-10-19-20(14-17)30-16-29-19)15-21-25-18-8-7-11-24-22(18)27(21)12-4-2;1-3-11-26(22(28)17-12-16(23)8-9-19(17)29-2)14-20-25-18-5-4-10-24-21(18)27(20)13-15-6-7-15;1-5-11-23(20(25)17-9-8-15(4)26-17)13-18-22-16-7-6-10-21-19(16)24(18)12-14(2)3/h3-7,11,13,17-18H,8-10,12,14-16H2,1-2H3;3-7,11,15-16H,8-10,12-14H2,1-2H3;7-11,14H,3-6,12-13,15-16H2,1-2H3;3-5,8-10,12,15H,1,6-7,11,13-14H2,2H3;6-10,14H,5,11-13H2,1-4H3
• InChIKey: USOBXMLFSJDEOV-UHFFFAOYSA-N
• XLogP: 23.68
• TPSA: 282.79 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 41
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2043.84
LogP ≤ 5	23.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluoro-N-(3-methylbutyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-prop-2-enylbenzamide;2-(3-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?

The IUPAC name of 2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluoro-N-(3-methylbutyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-prop-2-enylbenzamide;2-(3-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 161181794) is 2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluoro-N-(3-methylbutyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-prop-2-enylbenzamide;2-(3-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide;N-pentyl-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-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluoro-N-(3-methylbutyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-prop-2-enylbenzamide;2-(3-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for 2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluoro-N-(3-methylbutyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-prop-2-enylbenzamide;2-(3-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide is C=CCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1cc(Cl)ccc1OC.CC(C)CCN(Cc1nc2cccnc2n1CC1CC1)C(=O)Cc1cccc(Cl)c1.CC(C)CCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1c(F)cccc1Cl.CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc2c(c1)OCO2.CCCN(Cc1nc2cccnc2n1CC(C)C)C(=O)c1ccc(C)s1.

What is the InChIKey of 2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluoro-N-(3-methylbutyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-prop-2-enylbenzamide;2-(3-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?

The InChIKey is USOBXMLFSJDEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O.C23H26ClFN4O.C23H28N4O3.C22H23ClN4O2.C20H26N4OS/c1-17(2)10-12-28(23(30)14-19-5-3-6-20(25)13-19)16-22-27-21-7-4-11-26-24(21)29(22)15-18-8-9-18;1-15(2)10-12-28(23(30)21-17(24)5-3-6-18(21)25)14-20-27-19-7-4-11-26-22(19)29(20)13-16-8-9-16;1-3-5-6-13-26(23(28)17-9-10-19-20(14-17)30-16-29-19)15-21-25-18-8-7-11-24-22(18)27(21)12-4-2;1-3-11-26(22(28)17-12-16(23)8-9-19(17)29-2)14-20-25-18-5-4-10-24-21(18)27(20)13-15-6-7-15;1-5-11-23(20(25)17-9-8-15(4)26-17)13-18-22-16-7-6-10-21-19(16)24(18)12-14(2)3/h3-7,11,13,17-18H,8-10,12,14-16H2,1-2H3;3-7,11,15-16H,8-10,12-14H2,1-2H3;7-11,14H,3-6,12-13,15-16H2,1-2H3;3-5,8-10,12,15H,1,6-7,11,13-14H2,2H3;6-10,14H,5,11-13H2,1-4H3.

What are the key properties of 2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluoro-N-(3-methylbutyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-prop-2-enylbenzamide;2-(3-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide?

2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluoro-N-(3-methylbutyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-prop-2-enylbenzamide;2-(3-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 2043.84 g/mol, XLogP of 23.68, 41 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-6-fluoro-N-(3-methylbutyl)benzamide;5-chloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-2-methoxy-N-prop-2-enylbenzamide;2-(3-chlorophenyl)-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(3-methylbutyl)acetamide;5-methyl-N-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylthiophene-2-carboxamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 161181794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).