3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(2-methylpropyl)benzamide;3-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C92H114BrF4N17O6 — CID 161141853

About 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(2-methylpropyl)benzamide;3-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(2-methylpropyl)benzamide;3-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 161141853) has the molecular formula C92H114BrF4N17O6 and a molecular weight of 1709.93 g/mol. Its IUPAC name is 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(2-methylpropyl)benzamide;3-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(2-methylpropyl)benzamide;3-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 161141853
• Molecular Formula: C92H114BrF4N17O6
• Molecular Weight: 1709.93 g/mol
• Exact Mass: 1707.83
• IUPAC Name: 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(2-methylpropyl)benzamide;3-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: CC(C)CN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1c(F)cc(F)cc1F.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(F)c1.CCCn1c(CN(CC(C)C)C(=O)c2cccc(OCCNCCCOC)c2)nc2cccnc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(Br)c2)nc2cccnc21
• InChI: InChI=1S/C27H39N5O3.C23H25F3N4O.C22H27BrN4O.C20H23FN4O/c1-5-15-32-25(30-24-11-7-13-29-26(24)32)20-31(19-21(2)3)27(33)22-9-6-10-23(18-22)35-17-14-28-12-8-16-34-4;1-14(2)12-29(23(31)21-17(25)10-15(24)11-18(21)26)13-20-28-19-8-5-9-27-22(19)30(20)16-6-3-4-7-16;1-4-12-27-20(25-19-9-6-11-24-21(19)27)15-26(13-10-16(2)3)22(28)17-7-5-8-18(23)14-17;1-3-11-24(20(26)15-7-5-8-16(21)13-15)14-18-23-17-9-6-10-22-19(17)25(18)12-4-2/h6-7,9-11,13,18,21,28H,5,8,12,14-17,19-20H2,1-4H3;5,8-11,14,16H,3-4,6-7,12-13H2,1-2H3;5-9,11,14,16H,4,10,12-13,15H2,1-3H3;5-10,13H,3-4,11-12,14H2,1-2H3
• InChIKey: UNNXOAKCJWDVCR-UHFFFAOYSA-N
• XLogP: 18.73
• TPSA: 234.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 36
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1709.93
LogP ≤ 5	18.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(2-methylpropyl)benzamide;3-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(2-methylpropyl)benzamide;3-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 161141853) is 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(2-methylpropyl)benzamide;3-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

What is the SMILES notation for 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(2-methylpropyl)benzamide;3-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The canonical SMILES for 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(2-methylpropyl)benzamide;3-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CC(C)CN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1c(F)cc(F)cc1F.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(F)c1.CCCn1c(CN(CC(C)C)C(=O)c2cccc(OCCNCCCOC)c2)nc2cccnc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(Br)c2)nc2cccnc21.

What is the InChIKey of 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(2-methylpropyl)benzamide;3-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is UNNXOAKCJWDVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N5O3.C23H25F3N4O.C22H27BrN4O.C20H23FN4O/c1-5-15-32-25(30-24-11-7-13-29-26(24)32)20-31(19-21(2)3)27(33)22-9-6-10-23(18-22)35-17-14-28-12-8-16-34-4;1-14(2)12-29(23(31)21-17(25)10-15(24)11-18(21)26)13-20-28-19-8-5-9-27-22(19)30(20)16-6-3-4-7-16;1-4-12-27-20(25-19-9-6-11-24-21(19)27)15-26(13-10-16(2)3)22(28)17-7-5-8-18(23)14-17;1-3-11-24(20(26)15-7-5-8-16(21)13-15)14-18-23-17-9-6-10-22-19(17)25(18)12-4-2/h6-7,9-11,13,18,21,28H,5,8,12,14-17,19-20H2,1-4H3;5,8-11,14,16H,3-4,6-7,12-13H2,1-2H3;5-9,11,14,16H,4,10,12-13,15H2,1-3H3;5-10,13H,3-4,11-12,14H2,1-2H3.

What are the key properties of 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(2-methylpropyl)benzamide;3-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(2-methylpropyl)benzamide;3-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 1709.93 g/mol, XLogP of 18.73, 36 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(2-methylpropyl)benzamide;3-fluoro-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 161141853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).