2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one

C₈₂H₆₅F₆N₁₁O₄ — CID 158460730

About 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one

2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one (PubChem CID 158460730) has the molecular formula C₈₂H₆₅F₆N₁₁O₄ and a molecular weight of 1382.48 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
• PubChem CID: 158460730
• Molecular Formula: C₈₂H₆₅F₆N₁₁O₄
• Molecular Weight: 1382.48 g/mol
• Exact Mass: 1381.51
• IUPAC Name: 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
• SMILES: Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(C(F)(F)F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cn1.Cn1ccc2ccc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)cc21.O=C1c2ccccc2CN1Cc1ccc(-c2ccncc2)cc1F
• InChI: InChI=1S/C24H19FN2O.C20H16F3N3O.C20H15FN2O.C18H15FN4O/c1-26-11-10-16-6-7-18(13-23(16)26)17-8-9-20(22(25)12-17)15-27-14-19-4-2-3-5-21(19)24(27)28;1-25-10-16(9-24-25)13-6-7-15(18(8-13)20(21,22)23)12-26-11-14-4-2-3-5-17(14)19(26)27;21-19-11-15(14-7-9-22-10-8-14)5-6-17(19)13-23-12-16-3-1-2-4-18(16)20(23)24;1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-13H,14-15H2,1H3;2-10H,11-12H2,1H3;1-11H,12-13H2;2-9H,10-11H2,1H3
• InChIKey: HFDFTPCRPWLCIG-UHFFFAOYSA-N
• XLogP: 16.22
• TPSA: 147.59 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1382.48
LogP ≤ 5	16.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?

The IUPAC name of 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one (CID 158460730) is 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one.

What is the SMILES notation for 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?

The canonical SMILES for 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one is Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(C(F)(F)F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cn1.Cn1ccc2ccc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)cc21.O=C1c2ccccc2CN1Cc1ccc(-c2ccncc2)cc1F.

What is the InChIKey of 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?

The InChIKey is HFDFTPCRPWLCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O.C20H16F3N3O.C20H15FN2O.C18H15FN4O/c1-26-11-10-16-6-7-18(13-23(16)26)17-8-9-20(22(25)12-17)15-27-14-19-4-2-3-5-21(19)24(27)28;1-25-10-16(9-24-25)13-6-7-15(18(8-13)20(21,22)23)12-26-11-14-4-2-3-5-17(14)19(26)27;21-19-11-15(14-7-9-22-10-8-14)5-6-17(19)13-23-12-16-3-1-2-4-18(16)20(23)24;1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-13H,14-15H2,1H3;2-10H,11-12H2,1H3;1-11H,12-13H2;2-9H,10-11H2,1H3.

What are the key properties of 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?

2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one has a molecular weight of 1382.48 g/mol, XLogP of 16.22, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 158460730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158460730 — identifiers, structure, computed properties (public domain)

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