1-[1-(4-chlorophenyl)-2-methylindol-3-yl]-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone;1-[1-(3,4-difluorophenyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3-hydroxy-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;1-[6-imidazol-1-yl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone

C95H95ClF5N15O8 — CID 167710371

About 1-[1-(4-chlorophenyl)-2-methylindol-3-yl]-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone;1-[1-(3,4-difluorophenyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3-hydroxy-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;1-[6-imidazol-1-yl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone

1-[1-(4-chlorophenyl)-2-methylindol-3-yl]-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone;1-[1-(3,4-difluorophenyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3-hydroxy-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;1-[6-imidazol-1-yl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone (PubChem CID 167710371) has the molecular formula C95H95ClF5N15O8 and a molecular weight of 1705.34 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-methylindol-3-yl]-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone;1-[1-(3,4-difluorophenyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3-hydroxy-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;1-[6-imidazol-1-yl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone.

Molecular Properties

• Compound Name: 1-[1-(4-chlorophenyl)-2-methylindol-3-yl]-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone;1-[1-(3,4-difluorophenyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3-hydroxy-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;1-[6-imidazol-1-yl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone
• PubChem CID: 167710371
• Molecular Formula: C95H95ClF5N15O8
• Molecular Weight: 1705.34 g/mol
• Exact Mass: 1703.71
• IUPAC Name: 1-[1-(4-chlorophenyl)-2-methylindol-3-yl]-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone;1-[1-(3,4-difluorophenyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3-hydroxy-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;1-[6-imidazol-1-yl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone
• SMILES: Cc1c(C(=O)CN2CCC(O)(C(F)(F)F)CC2)c2ccccc2n1-c1ccc(Cl)cc1.Cc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ccc(F)c(F)c1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(-n4ccnc4)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(C(O)CC(N)=O)cc32)cc1
• InChI: InChI=1S/C25H24N6O.C25H27N5O3.C23H22ClF3N2O2.C22H22F2N2O2/c1-18-24(23(32)16-29-11-4-3-5-12-29)25-22(14-21(15-28-25)30-13-10-27-17-30)31(18)20-8-6-19(26-2)7-9-20;1-16-24(22(32)15-29-10-4-3-5-11-29)25-20(12-17(14-28-25)21(31)13-23(26)33)30(16)19-8-6-18(27-2)7-9-19;1-15-21(20(30)14-28-12-10-22(31,11-13-28)23(25,26)27)18-4-2-3-5-19(18)29(15)17-8-6-16(24)7-9-17;1-14-22(21(28)13-25-10-8-16(27)9-11-25)17-4-2-3-5-20(17)26(14)15-6-7-18(23)19(24)12-15/h6-10,13-15,17H,3-5,11-12,16H2,1H3;6-9,12,14,21,31H,3-5,10-11,13,15H2,1H3,(H2,26,33);2-9,31H,10-14H2,1H3;2-7,12,16,27H,8-11,13H2,1H3
• InChIKey: ZSWSDDVEHPFLBT-UHFFFAOYSA-N
• XLogP: 17.22
• TPSA: 257.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1705.34
LogP ≤ 5	17.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-[1-(4-chlorophenyl)-2-methylindol-3-yl]-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone;1-[1-(3,4-difluorophenyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3-hydroxy-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;1-[6-imidazol-1-yl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone (CID 167710371) is 1-[1-(4-chlorophenyl)-2-methylindol-3-yl]-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone;1-[1-(3,4-difluorophenyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3-hydroxy-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;1-[6-imidazol-1-yl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone.

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

The canonical SMILES for 1-[1-(4-chlorophenyl)-2-methylindol-3-yl]-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone;1-[1-(3,4-difluorophenyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3-hydroxy-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;1-[6-imidazol-1-yl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone is Cc1c(C(=O)CN2CCC(O)(C(F)(F)F)CC2)c2ccccc2n1-c1ccc(Cl)cc1.Cc1c(C(=O)CN2CCC(O)CC2)c2ccccc2n1-c1ccc(F)c(F)c1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(-n4ccnc4)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(C(O)CC(N)=O)cc32)cc1.

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

The InChIKey is ZSWSDDVEHPFLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O.C25H27N5O3.C23H22ClF3N2O2.C22H22F2N2O2/c1-18-24(23(32)16-29-11-4-3-5-12-29)25-22(14-21(15-28-25)30-13-10-27-17-30)31(18)20-8-6-19(26-2)7-9-20;1-16-24(22(32)15-29-10-4-3-5-11-29)25-20(12-17(14-28-25)21(31)13-23(26)33)30(16)19-8-6-18(27-2)7-9-19;1-15-21(20(30)14-28-12-10-22(31,11-13-28)23(25,26)27)18-4-2-3-5-19(18)29(15)17-8-6-16(24)7-9-17;1-14-22(21(28)13-25-10-8-16(27)9-11-25)17-4-2-3-5-20(17)26(14)15-6-7-18(23)19(24)12-15/h6-10,13-15,17H,3-5,11-12,16H2,1H3;6-9,12,14,21,31H,3-5,10-11,13,15H2,1H3,(H2,26,33);2-9,31H,10-14H2,1H3;2-7,12,16,27H,8-11,13H2,1H3.

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

1-[1-(4-chlorophenyl)-2-methylindol-3-yl]-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone;1-[1-(3,4-difluorophenyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3-hydroxy-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;1-[6-imidazol-1-yl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone has a molecular weight of 1705.34 g/mol, XLogP of 17.22, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-chlorophenyl)-2-methylindol-3-yl]-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone;1-[1-(3,4-difluorophenyl)-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3-hydroxy-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;1-[6-imidazol-1-yl-1-(4-isocyanophenyl)-2-methylpyrrolo[3,2-b]pyridin-3-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 167710371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).