3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxy-N-(2-methylpropyl)benzamide;2,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide

C91H106BrCl3F2N16O6 — CID 159281310

About 3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxy-N-(2-methylpropyl)benzamide;2,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide

3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxy-N-(2-methylpropyl)benzamide;2,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide (PubChem CID 159281310) has the molecular formula C91H106BrCl3F2N16O6 and a molecular weight of 1744.21 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxy-N-(2-methylpropyl)benzamide;2,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide.

Molecular Properties

• Compound Name: 3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxy-N-(2-methylpropyl)benzamide;2,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide
• PubChem CID: 159281310
• Molecular Formula: C91H106BrCl3F2N16O6
• Molecular Weight: 1744.21 g/mol
• Exact Mass: 1740.67
• IUPAC Name: 3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxy-N-(2-methylpropyl)benzamide;2,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide
• SMILES: CCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1ccc(Cl)cc1Cl.CCCn1c(CN(CC(C)C)C(=O)c2ccc(F)c(Br)c2)nc2cccnc21.COc1ccc(C(=O)N(CCC(C)C)Cc2nc3cccnc3n2C2CCCC2)cc1Cl.COc1ccc(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)cc1F
• InChI: InChI=1S/C25H31ClN4O2.C24H29FN4O2.C21H24BrFN4O.C21H22Cl2N4O/c1-17(2)12-14-29(25(31)18-10-11-22(32-3)20(26)15-18)16-23-28-21-9-6-13-27-24(21)30(23)19-7-4-5-8-19;1-16(2)14-28(24(30)17-10-11-21(31-3)19(25)13-17)15-22-27-20-9-6-12-26-23(20)29(22)18-7-4-5-8-18;1-4-10-27-19(25-18-6-5-9-24-20(18)27)13-26(12-14(2)3)21(28)15-7-8-17(23)16(22)11-15;1-2-10-26(21(28)16-8-7-15(22)11-17(16)23)13-19-25-18-4-3-9-24-20(18)27(19)12-14-5-6-14/h6,9-11,13,15,17,19H,4-5,7-8,12,14,16H2,1-3H3;6,9-13,16,18H,4-5,7-8,14-15H2,1-3H3;5-9,11,14H,4,10,12-13H2,1-3H3;3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3
• InChIKey: KYYKTVNIJLPLTF-UHFFFAOYSA-N
• XLogP: 21.13
• TPSA: 222.54 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 29
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1744.21
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxy-N-(2-methylpropyl)benzamide;2,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide?

The IUPAC name of 3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxy-N-(2-methylpropyl)benzamide;2,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide (CID 159281310) is 3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxy-N-(2-methylpropyl)benzamide;2,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide.

What is the SMILES notation for 3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxy-N-(2-methylpropyl)benzamide;2,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide?

The canonical SMILES for 3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxy-N-(2-methylpropyl)benzamide;2,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide is CCCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1ccc(Cl)cc1Cl.CCCn1c(CN(CC(C)C)C(=O)c2ccc(F)c(Br)c2)nc2cccnc21.COc1ccc(C(=O)N(CCC(C)C)Cc2nc3cccnc3n2C2CCCC2)cc1Cl.COc1ccc(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)cc1F.

What is the InChIKey of 3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxy-N-(2-methylpropyl)benzamide;2,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide?

The InChIKey is KYYKTVNIJLPLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O2.C24H29FN4O2.C21H24BrFN4O.C21H22Cl2N4O/c1-17(2)12-14-29(25(31)18-10-11-22(32-3)20(26)15-18)16-23-28-21-9-6-13-27-24(21)30(23)19-7-4-5-8-19;1-16(2)14-28(24(30)17-10-11-21(31-3)19(25)13-17)15-22-27-20-9-6-12-26-23(20)29(22)18-7-4-5-8-18;1-4-10-27-19(25-18-6-5-9-24-20(18)27)13-26(12-14(2)3)21(28)15-7-8-17(23)16(22)11-15;1-2-10-26(21(28)16-8-7-15(22)11-17(16)23)13-19-25-18-4-3-9-24-20(18)27(19)12-14-5-6-14/h6,9-11,13,15,17,19H,4-5,7-8,12,14,16H2,1-3H3;6,9-13,16,18H,4-5,7-8,14-15H2,1-3H3;5-9,11,14H,4,10,12-13H2,1-3H3;3-4,7-9,11,14H,2,5-6,10,12-13H2,1H3.

What are the key properties of 3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxy-N-(2-methylpropyl)benzamide;2,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide?

3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxy-N-(2-methylpropyl)benzamide;2,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide has a molecular weight of 1744.21 g/mol, XLogP of 21.13, 29 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-fluoro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methoxy-N-(2-methylpropyl)benzamide;2,4-dichloro-N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-propylbenzamide is sourced from PubChem (CID 159281310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).