1-[1-(4-azidophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl] acetate;1-[6-(difluoromethyl)-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridin-3-yl]ethanone

C92H91ClF5N15O7 — CID 167608692

About 1-[1-(4-azidophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl] acetate;1-[6-(difluoromethyl)-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridin-3-yl]ethanone

1-[1-(4-azidophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl] acetate;1-[6-(difluoromethyl)-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridin-3-yl]ethanone (PubChem CID 167608692) has the molecular formula C92H91ClF5N15O7 and a molecular weight of 1649.28 g/mol. Its IUPAC name is 1-[1-(4-azidophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl] acetate;1-[6-(difluoromethyl)-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1-(4-azidophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl] acetate;1-[6-(difluoromethyl)-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridin-3-yl]ethanone
• PubChem CID: 167608692
• Molecular Formula: C92H91ClF5N15O7
• Molecular Weight: 1649.28 g/mol
• Exact Mass: 1647.68
• IUPAC Name: 1-[1-(4-azidophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl] acetate;1-[6-(difluoromethyl)-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridin-3-yl]ethanone
• SMILES: CC(=O)Oc1ccc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(Cl)cc3)c2c1.Cc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(N=[N+]=[N-])cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCC(O)CC3)c3ncc(C(F)(F)F)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(C(F)F)cc32)cc1
• InChI: InChI=1S/C24H25ClN2O3.C23H21F3N4O2.C23H22F2N4O.C22H23N5O/c1-16-24(23(29)15-26-12-4-3-5-13-26)21-11-10-20(30-17(2)28)14-22(21)27(16)19-8-6-18(25)7-9-19;1-14-21(20(32)13-29-9-7-18(31)8-10-29)22-19(11-15(12-28-22)23(24,25)26)30(14)17-5-3-16(27-2)4-6-17;1-15-21(20(30)14-28-10-4-3-5-11-28)22-19(12-16(13-27-22)23(24)25)29(15)18-8-6-17(26-2)7-9-18;1-16-22(21(28)15-26-13-5-2-6-14-26)19-7-3-4-8-20(19)27(16)18-11-9-17(10-12-18)24-25-23/h6-11,14H,3-5,12-13,15H2,1-2H3;3-6,11-12,18,31H,7-10,13H2,1H3;6-9,12-13,23H,3-5,10-11,14H2,1H3;3-4,7-12H,2,5-6,13-15H2,1H3
• InChIKey: KSRUASATRWKBDG-UHFFFAOYSA-N
• XLogP: 20.77
• TPSA: 230.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1649.28
LogP ≤ 5	20.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-azidophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl] acetate;1-[6-(difluoromethyl)-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridin-3-yl]ethanone?

The IUPAC name of 1-[1-(4-azidophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl] acetate;1-[6-(difluoromethyl)-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridin-3-yl]ethanone (CID 167608692) is 1-[1-(4-azidophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl] acetate;1-[6-(difluoromethyl)-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridin-3-yl]ethanone.

What is the SMILES notation for 1-[1-(4-azidophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl] acetate;1-[6-(difluoromethyl)-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridin-3-yl]ethanone?

The canonical SMILES for 1-[1-(4-azidophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl] acetate;1-[6-(difluoromethyl)-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridin-3-yl]ethanone is CC(=O)Oc1ccc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(Cl)cc3)c2c1.Cc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(N=[N+]=[N-])cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCC(O)CC3)c3ncc(C(F)(F)F)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(C(F)F)cc32)cc1.

What is the InChIKey of 1-[1-(4-azidophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl] acetate;1-[6-(difluoromethyl)-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridin-3-yl]ethanone?

The InChIKey is KSRUASATRWKBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3.C23H21F3N4O2.C23H22F2N4O.C22H23N5O/c1-16-24(23(29)15-26-12-4-3-5-13-26)21-11-10-20(30-17(2)28)14-22(21)27(16)19-8-6-18(25)7-9-19;1-14-21(20(32)13-29-9-7-18(31)8-10-29)22-19(11-15(12-28-22)23(24,25)26)30(14)17-5-3-16(27-2)4-6-17;1-15-21(20(30)14-28-10-4-3-5-11-28)22-19(12-16(13-27-22)23(24)25)29(15)18-8-6-17(26-2)7-9-18;1-16-22(21(28)15-26-13-5-2-6-14-26)19-7-3-4-8-20(19)27(16)18-11-9-17(10-12-18)24-25-23/h6-11,14H,3-5,12-13,15H2,1-2H3;3-6,11-12,18,31H,7-10,13H2,1H3;6-9,12-13,23H,3-5,10-11,14H2,1H3;3-4,7-12H,2,5-6,13-15H2,1H3.

What are the key properties of 1-[1-(4-azidophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl] acetate;1-[6-(difluoromethyl)-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridin-3-yl]ethanone?

1-[1-(4-azidophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl] acetate;1-[6-(difluoromethyl)-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridin-3-yl]ethanone has a molecular weight of 1649.28 g/mol, XLogP of 20.77, 19 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-azidophenyl)-2-methylindol-3-yl]-2-piperidin-1-ylethanone;[1-(4-chlorophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)indol-6-yl] acetate;1-[6-(difluoromethyl)-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone;2-(4-hydroxypiperidin-1-yl)-1-[1-(4-isocyanophenyl)-2-methyl-6-(trifluoromethyl)pyrrolo[3,2-b]pyridin-3-yl]ethanone is sourced from PubChem (CID 167608692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).