1-[1-(4-chlorophenyl)-2-cyclopropylindol-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-chlorophenyl)-6-fluoro-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3,3-difluoro-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-2-methoxypropanamide

C97H101Cl2F3N14O8 — CID 167620535

About 1-[1-(4-chlorophenyl)-2-cyclopropylindol-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-chlorophenyl)-6-fluoro-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3,3-difluoro-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-2-methoxypropanamide

1-[1-(4-chlorophenyl)-2-cyclopropylindol-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-chlorophenyl)-6-fluoro-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3,3-difluoro-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-2-methoxypropanamide (PubChem CID 167620535) has the molecular formula C97H101Cl2F3N14O8 and a molecular weight of 1718.86 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-cyclopropylindol-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-chlorophenyl)-6-fluoro-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3,3-difluoro-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-2-methoxypropanamide.

Molecular Properties

• Compound Name: 1-[1-(4-chlorophenyl)-2-cyclopropylindol-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-chlorophenyl)-6-fluoro-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3,3-difluoro-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-2-methoxypropanamide
• PubChem CID: 167620535
• Molecular Formula: C97H101Cl2F3N14O8
• Molecular Weight: 1718.86 g/mol
• Exact Mass: 1716.73
• IUPAC Name: 1-[1-(4-chlorophenyl)-2-cyclopropylindol-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-chlorophenyl)-6-fluoro-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3,3-difluoro-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-2-methoxypropanamide
• SMILES: Cc1c(C(=O)CN2CCC(O)CC2)c2ccc(F)cc2n1-c1ccc(Cl)cc1.O=C(CN1CCCCC1)c1c(C2CC2)n(-c2ccc(Cl)cc2)c2ccccc12.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(C(F)(F)CC(N)=O)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CC(OC)C(N)=O)cc32)cc1
• InChI: InChI=1S/C26H29N5O3.C25H25F2N5O2.C24H25ClN2O.C22H22ClFN2O2/c1-17-24(22(32)16-30-11-5-4-6-12-30)25-21(31(17)20-9-7-19(28-2)8-10-20)13-18(15-29-25)14-23(34-3)26(27)33;1-16-23(21(33)15-31-10-4-3-5-11-31)24-20(32(16)19-8-6-18(29-2)7-9-19)12-17(14-30-24)25(26,27)13-22(28)34;25-18-10-12-19(13-11-18)27-21-7-3-2-6-20(21)23(24(27)17-8-9-17)22(28)16-26-14-4-1-5-15-26;1-14-22(21(28)13-25-10-8-18(27)9-11-25)19-7-4-16(24)12-20(19)26(14)17-5-2-15(23)3-6-17/h7-10,13,15,23H,4-6,11-12,14,16H2,1,3H3,(H2,27,33);6-9,12,14H,3-5,10-11,13,15H2,1H3,(H2,28,34);2-3,6-7,10-13,17H,1,4-5,8-9,14-16H2;2-7,12,18,27H,8-11,13H2,1H3
• InChIKey: MJLJYRAKESIHKY-UHFFFAOYSA-N
• XLogP: 18.32
• TPSA: 251.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1718.86
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

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-cyclopropylindol-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-chlorophenyl)-6-fluoro-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3,3-difluoro-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-2-methoxypropanamide?

The IUPAC name of 1-[1-(4-chlorophenyl)-2-cyclopropylindol-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-chlorophenyl)-6-fluoro-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3,3-difluoro-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-2-methoxypropanamide (CID 167620535) is 1-[1-(4-chlorophenyl)-2-cyclopropylindol-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-chlorophenyl)-6-fluoro-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3,3-difluoro-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-2-methoxypropanamide.

What is the SMILES notation for 1-[1-(4-chlorophenyl)-2-cyclopropylindol-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-chlorophenyl)-6-fluoro-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3,3-difluoro-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-2-methoxypropanamide?

The canonical SMILES for 1-[1-(4-chlorophenyl)-2-cyclopropylindol-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-chlorophenyl)-6-fluoro-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3,3-difluoro-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-2-methoxypropanamide is Cc1c(C(=O)CN2CCC(O)CC2)c2ccc(F)cc2n1-c1ccc(Cl)cc1.O=C(CN1CCCCC1)c1c(C2CC2)n(-c2ccc(Cl)cc2)c2ccccc12.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(C(F)(F)CC(N)=O)cc32)cc1.[C-]#[N+]c1ccc(-n2c(C)c(C(=O)CN3CCCCC3)c3ncc(CC(OC)C(N)=O)cc32)cc1.

What is the InChIKey of 1-[1-(4-chlorophenyl)-2-cyclopropylindol-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-chlorophenyl)-6-fluoro-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3,3-difluoro-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-2-methoxypropanamide?

The InChIKey is MJLJYRAKESIHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3.C25H25F2N5O2.C24H25ClN2O.C22H22ClFN2O2/c1-17-24(22(32)16-30-11-5-4-6-12-30)25-21(31(17)20-9-7-19(28-2)8-10-20)13-18(15-29-25)14-23(34-3)26(27)33;1-16-23(21(33)15-31-10-4-3-5-11-31)24-20(32(16)19-8-6-18(29-2)7-9-19)12-17(14-30-24)25(26,27)13-22(28)34;25-18-10-12-19(13-11-18)27-21-7-3-2-6-20(21)23(24(27)17-8-9-17)22(28)16-26-14-4-1-5-15-26;1-14-22(21(28)13-25-10-8-18(27)9-11-25)19-7-4-16(24)12-20(19)26(14)17-5-2-15(23)3-6-17/h7-10,13,15,23H,4-6,11-12,14,16H2,1,3H3,(H2,27,33);6-9,12,14H,3-5,10-11,13,15H2,1H3,(H2,28,34);2-3,6-7,10-13,17H,1,4-5,8-9,14-16H2;2-7,12,18,27H,8-11,13H2,1H3.

What are the key properties of 1-[1-(4-chlorophenyl)-2-cyclopropylindol-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-chlorophenyl)-6-fluoro-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3,3-difluoro-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-2-methoxypropanamide?

1-[1-(4-chlorophenyl)-2-cyclopropylindol-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-chlorophenyl)-6-fluoro-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3,3-difluoro-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-2-methoxypropanamide has a molecular weight of 1718.86 g/mol, XLogP of 18.32, 24 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-chlorophenyl)-2-cyclopropylindol-3-yl]-2-piperidin-1-ylethanone;1-[1-(4-chlorophenyl)-6-fluoro-2-methylindol-3-yl]-2-(4-hydroxypiperidin-1-yl)ethanone;3,3-difluoro-3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]propanamide;3-[1-(4-isocyanophenyl)-2-methyl-3-(2-piperidin-1-ylacetyl)pyrrolo[3,2-b]pyridin-6-yl]-2-methoxypropanamide is sourced from PubChem (CID 167620535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).