2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[(4-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propyl-3H-pyrrolo[3,2-b]pyridin-2-yl)methyl]benzamide

C116H124Br2F7N19O9 — CID 158030158

About 2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[(4-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propyl-3H-pyrrolo[3,2-b]pyridin-2-yl)methyl]benzamide

2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[(4-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propyl-3H-pyrrolo[3,2-b]pyridin-2-yl)methyl]benzamide (PubChem CID 158030158) has the molecular formula C116H124Br2F7N19O9 and a molecular weight of 2221.19 g/mol. Its IUPAC name is 2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[(4-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propyl-3H-pyrrolo[3,2-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[(4-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propyl-3H-pyrrolo[3,2-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 158030158
• Molecular Formula: C116H124Br2F7N19O9
• Molecular Weight: 2221.19 g/mol
• Exact Mass: 2217.81
• IUPAC Name: 2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[(4-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propyl-3H-pyrrolo[3,2-b]pyridin-2-yl)methyl]benzamide
• SMILES: CCCC1C(CN(Cc2ccccc2F)C(=O)c2cc(OC)ccc2OC)=Nc2cccnc21.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1F.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccccc1Br.CCCn1c(CN(C)C(=O)c2ccc(F)c(Br)c2)nc2cccnc21.CCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2cc(OC)ccc2OC)nc2cccnc21
• InChI: InChI=1S/C27H28FN3O3.C26H27FN4O3.C24H26F4N4O.C21H25BrN4O.C18H18BrFN4O/c1-4-8-20-24(30-23-11-7-14-29-26(20)23)17-31(16-18-9-5-6-10-22(18)28)27(32)21-15-19(33-2)12-13-25(21)34-3;1-4-14-31-24(29-22-6-5-13-28-25(22)31)17-30(16-18-7-9-19(27)10-8-18)26(32)21-15-20(33-2)11-12-23(21)34-3;1-2-3-14-31(23(33)17-10-6-11-18(21(17)25)24(26,27)28)15-20-30-19-12-7-13-29-22(19)32(20)16-8-4-5-9-16;1-3-5-14-25(21(27)16-9-6-7-10-17(16)22)15-19-24-18-11-8-12-23-20(18)26(19)13-4-2;1-3-9-24-16(22-15-5-4-8-21-17(15)24)11-23(2)18(25)12-6-7-14(20)13(19)10-12/h5-7,9-15,20H,4,8,16-17H2,1-3H3;5-13,15H,4,14,16-17H2,1-3H3;6-7,10-13,16H,2-5,8-9,14-15H2,1H3;6-12H,3-5,13-15H2,1-2H3;4-8,10H,3,9,11H2,1-2H3
• InChIKey: FHBVSRZPAADQMC-UHFFFAOYSA-N
• XLogP: 25.60
• TPSA: 286.56 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 38
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2221.19
LogP ≤ 5	25.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[(4-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propyl-3H-pyrrolo[3,2-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of 2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[(4-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propyl-3H-pyrrolo[3,2-b]pyridin-2-yl)methyl]benzamide (CID 158030158) is 2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[(4-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propyl-3H-pyrrolo[3,2-b]pyridin-2-yl)methyl]benzamide.

What is the SMILES notation for 2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[(4-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propyl-3H-pyrrolo[3,2-b]pyridin-2-yl)methyl]benzamide?

The canonical SMILES for 2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[(4-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propyl-3H-pyrrolo[3,2-b]pyridin-2-yl)methyl]benzamide is CCCC1C(CN(Cc2ccccc2F)C(=O)c2cc(OC)ccc2OC)=Nc2cccnc21.CCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1F.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccccc1Br.CCCn1c(CN(C)C(=O)c2ccc(F)c(Br)c2)nc2cccnc21.CCCn1c(CN(Cc2ccc(F)cc2)C(=O)c2cc(OC)ccc2OC)nc2cccnc21.

What is the InChIKey of 2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[(4-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propyl-3H-pyrrolo[3,2-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is FHBVSRZPAADQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O3.C26H27FN4O3.C24H26F4N4O.C21H25BrN4O.C18H18BrFN4O/c1-4-8-20-24(30-23-11-7-14-29-26(20)23)17-31(16-18-9-5-6-10-22(18)28)27(32)21-15-19(33-2)12-13-25(21)34-3;1-4-14-31-24(29-22-6-5-13-28-25(22)31)17-30(16-18-7-9-19(27)10-8-18)26(32)21-15-20(33-2)11-12-23(21)34-3;1-2-3-14-31(23(33)17-10-6-11-18(21(17)25)24(26,27)28)15-20-30-19-12-7-13-29-22(19)32(20)16-8-4-5-9-16;1-3-5-14-25(21(27)16-9-6-7-10-17(16)22)15-19-24-18-11-8-12-23-20(18)26(19)13-4-2;1-3-9-24-16(22-15-5-4-8-21-17(15)24)11-23(2)18(25)12-6-7-14(20)13(19)10-12/h5-7,9-15,20H,4,8,16-17H2,1-3H3;5-13,15H,4,14,16-17H2,1-3H3;6-7,10-13,16H,2-5,8-9,14-15H2,1H3;6-12H,3-5,13-15H2,1-2H3;4-8,10H,3,9,11H2,1-2H3.

What are the key properties of 2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[(4-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propyl-3H-pyrrolo[3,2-b]pyridin-2-yl)methyl]benzamide?

2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[(4-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propyl-3H-pyrrolo[3,2-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 2221.19 g/mol, XLogP of 25.60, 38 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-butyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-bromo-4-fluoro-N-methyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-fluoro-3-(trifluoromethyl)benzamide;N-[(4-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(2-fluorophenyl)methyl]-2,5-dimethoxy-N-[(3-propyl-3H-pyrrolo[3,2-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 158030158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).