3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide

C93H116Br2N16O6S — CID 159726776

About 3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide

3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide (PubChem CID 159726776) has the molecular formula C93H116Br2N16O6S and a molecular weight of 1745.93 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide.

Molecular Properties

• Compound Name: 3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide
• PubChem CID: 159726776
• Molecular Formula: C93H116Br2N16O6S
• Molecular Weight: 1745.93 g/mol
• Exact Mass: 1742.74
• IUPAC Name: 3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide
• SMILES: CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(SC)cc1.CCCn1c(CN(CC(C)C)C(=O)c2ccc(C)c(Br)c2)nc2cccnc21.CCCn1c(CN(CC(C)C)C(=O)c2cccc(Br)c2)nc2cccnc21.COc1ccc(C(=O)N(CCC(C)C)Cc2nc3cccnc3n2C2CCCC2)c(OC)c1
• InChI: InChI=1S/C26H34N4O3.C24H30N4OS.C22H27BrN4O.C21H25BrN4O/c1-18(2)13-15-29(26(31)21-12-11-20(32-3)16-23(21)33-4)17-24-28-22-10-7-14-27-25(22)30(24)19-8-5-6-9-19;1-3-4-16-27(24(29)18-11-13-20(30-2)14-12-18)17-22-26-21-10-7-15-25-23(21)28(22)19-8-5-6-9-19;1-5-11-27-20(25-19-7-6-10-24-21(19)27)14-26(13-15(2)3)22(28)17-9-8-16(4)18(23)12-17;1-4-11-26-19(24-18-9-6-10-23-20(18)26)14-25(13-15(2)3)21(27)16-7-5-8-17(22)12-16/h7,10-12,14,16,18-19H,5-6,8-9,13,15,17H2,1-4H3;7,10-15,19H,3-6,8-9,16-17H2,1-2H3;6-10,12,15H,5,11,13-14H2,1-4H3;5-10,12,15H,4,11,13-14H2,1-3H3
• InChIKey: NASRKCJUFKVWNZ-UHFFFAOYSA-N
• XLogP: 21.08
• TPSA: 222.54 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 31
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1745.93
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide?

The IUPAC name of 3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide (CID 159726776) is 3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide.

What is the SMILES notation for 3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide?

The canonical SMILES for 3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide is CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(SC)cc1.CCCn1c(CN(CC(C)C)C(=O)c2ccc(C)c(Br)c2)nc2cccnc21.CCCn1c(CN(CC(C)C)C(=O)c2cccc(Br)c2)nc2cccnc21.COc1ccc(C(=O)N(CCC(C)C)Cc2nc3cccnc3n2C2CCCC2)c(OC)c1.

What is the InChIKey of 3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide?

The InChIKey is NASRKCJUFKVWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3.C24H30N4OS.C22H27BrN4O.C21H25BrN4O/c1-18(2)13-15-29(26(31)21-12-11-20(32-3)16-23(21)33-4)17-24-28-22-10-7-14-27-25(22)30(24)19-8-5-6-9-19;1-3-4-16-27(24(29)18-11-13-20(30-2)14-12-18)17-22-26-21-10-7-15-25-23(21)28(22)19-8-5-6-9-19;1-5-11-27-20(25-19-7-6-10-24-21(19)27)14-26(13-15(2)3)22(28)17-9-8-16(4)18(23)12-17;1-4-11-26-19(24-18-9-6-10-23-20(18)26)14-25(13-15(2)3)21(27)16-7-5-8-17(22)12-16/h7,10-12,14,16,18-19H,5-6,8-9,13,15,17H2,1-4H3;7,10-15,19H,3-6,8-9,16-17H2,1-2H3;6-10,12,15H,5,11,13-14H2,1-4H3;5-10,12,15H,4,11,13-14H2,1-3H3.

What are the key properties of 3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide?

3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide has a molecular weight of 1745.93 g/mol, XLogP of 21.08, 31 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-methyl-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methylsulfanylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4-dimethoxy-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 159726776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).