1-(4-bromophenyl)-2-[2-methylpropyl-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]amino]ethanone;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C94H116BrF4N17O6 — CID 158204816

About 1-(4-bromophenyl)-2-[2-methylpropyl-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]amino]ethanone;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

1-(4-bromophenyl)-2-[2-methylpropyl-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]amino]ethanone;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 158204816) has the molecular formula C94H116BrF4N17O6 and a molecular weight of 1735.97 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[2-methylpropyl-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]amino]ethanone;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 1-(4-bromophenyl)-2-[2-methylpropyl-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]amino]ethanone;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• PubChem CID: 158204816
• Molecular Formula: C94H116BrF4N17O6
• Molecular Weight: 1735.97 g/mol
• Exact Mass: 1733.84
• IUPAC Name: 1-(4-bromophenyl)-2-[2-methylpropyl-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]amino]ethanone;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
• SMILES: C=CCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccccc1F.CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1c(F)cc(F)cc1F.CCCn1c(CN(CC(=O)c2ccc(Br)cc2)CC(C)C)nc2cccnc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(OCCNCCCOC)c2)nc2cccnc21
• InChI: InChI=1S/C28H41N5O3.C24H27F3N4O.C22H27BrN4O.C20H21FN4O/c1-5-16-33-26(31-25-11-7-14-30-27(25)33)21-32(17-12-22(2)3)28(34)23-9-6-10-24(20-23)36-19-15-29-13-8-18-35-4;1-15(2)9-11-30(24(32)22-18(26)12-16(25)13-19(22)27)14-21-29-20-8-5-10-28-23(20)31(21)17-6-3-4-7-17;1-4-12-27-21(25-19-6-5-11-24-22(19)27)15-26(13-16(2)3)14-20(28)17-7-9-18(23)10-8-17;1-3-12-24(20(26)15-8-5-6-9-16(15)21)14-18-23-17-10-7-11-22-19(17)25(18)13-4-2/h6-7,9-11,14,20,22,29H,5,8,12-13,15-19,21H2,1-4H3;5,8,10,12-13,15,17H,3-4,6-7,9,11,14H2,1-2H3;5-11,16H,4,12-15H2,1-3H3;3,5-11H,1,4,12-14H2,2H3
• InChIKey: GBJFCHYQSOYTAQ-UHFFFAOYSA-N
• XLogP: 18.94
• TPSA: 234.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 39
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1735.97
LogP ≤ 5	18.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

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 1-(4-bromophenyl)-2-[2-methylpropyl-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]amino]ethanone;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The IUPAC name of 1-(4-bromophenyl)-2-[2-methylpropyl-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]amino]ethanone;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 158204816) is 1-(4-bromophenyl)-2-[2-methylpropyl-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]amino]ethanone;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

What is the SMILES notation for 1-(4-bromophenyl)-2-[2-methylpropyl-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]amino]ethanone;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The canonical SMILES for 1-(4-bromophenyl)-2-[2-methylpropyl-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]amino]ethanone;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is C=CCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccccc1F.CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1c(F)cc(F)cc1F.CCCn1c(CN(CC(=O)c2ccc(Br)cc2)CC(C)C)nc2cccnc21.CCCn1c(CN(CCC(C)C)C(=O)c2cccc(OCCNCCCOC)c2)nc2cccnc21.

What is the InChIKey of 1-(4-bromophenyl)-2-[2-methylpropyl-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]amino]ethanone;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

The InChIKey is GBJFCHYQSOYTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O3.C24H27F3N4O.C22H27BrN4O.C20H21FN4O/c1-5-16-33-26(31-25-11-7-14-30-27(25)33)21-32(17-12-22(2)3)28(34)23-9-6-10-24(20-23)36-19-15-29-13-8-18-35-4;1-15(2)9-11-30(24(32)22-18(26)12-16(25)13-19(22)27)14-21-29-20-8-5-10-28-23(20)31(21)17-6-3-4-7-17;1-4-12-27-21(25-19-6-5-11-24-22(19)27)15-26(13-16(2)3)14-20(28)17-7-9-18(23)10-8-17;1-3-12-24(20(26)15-8-5-6-9-16(15)21)14-18-23-17-10-7-11-22-19(17)25(18)13-4-2/h6-7,9-11,14,20,22,29H,5,8,12-13,15-19,21H2,1-4H3;5,8,10,12-13,15,17H,3-4,6-7,9,11,14H2,1-2H3;5-11,16H,4,12-15H2,1-3H3;3,5-11H,1,4,12-14H2,2H3.

What are the key properties of 1-(4-bromophenyl)-2-[2-methylpropyl-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]amino]ethanone;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?

1-(4-bromophenyl)-2-[2-methylpropyl-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]amino]ethanone;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 1735.97 g/mol, XLogP of 18.94, 39 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromophenyl)-2-[2-methylpropyl-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]amino]ethanone;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide;2-fluoro-N-prop-2-enyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;3-[2-(3-methoxypropylamino)ethoxy]-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 158204816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).