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

C107H79F7N16O5 — CID 158345019

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

6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-4-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one (PubChem CID 158345019) has the molecular formula C107H79F7N16O5 and a molecular weight of 1801.90 g/mol. Its IUPAC name is 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-4-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-4-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
• PubChem CID: 158345019
• Molecular Formula: C107H79F7N16O5
• Molecular Weight: 1801.90 g/mol
• Exact Mass: 1800.63
• IUPAC Name: 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-4-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-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.O=C1c2cccnc2CN1Cc1ccc(-c2cccc3ncccc23)cc1F.O=C1c2cccnc2CN1Cc1ccc(-c2ccnc3ccccc23)cc1F.O=C1c2cccnc2CN1Cc1ccc(-c2cnc3ccccc3c2)cc1F
• InChI: InChI=1S/3C23H16FN3O.C20H16F3N3O.C18H15FN4O/c24-20-12-15(17-4-1-7-21-18(17)5-2-10-25-21)8-9-16(20)13-27-14-22-19(23(27)28)6-3-11-26-22;24-20-12-15(17-9-11-26-21-6-2-1-4-18(17)21)7-8-16(20)13-27-14-22-19(23(27)28)5-3-10-25-22;24-20-11-15(18-10-16-4-1-2-6-21(16)26-12-18)7-8-17(20)13-27-14-22-19(23(27)28)5-3-9-25-22;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;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/h3*1-12H,13-14H2;2-10H,11-12H2,1H3;2-9H,10-11H2,1H3
• InChIKey: GRPWTHZYBLILAA-UHFFFAOYSA-N
• XLogP: 20.81
• TPSA: 227.42 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1801.90
LogP ≤ 5	20.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-4-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one (CID 158345019) is 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-4-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one.

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

The canonical SMILES for 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-4-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-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.O=C1c2cccnc2CN1Cc1ccc(-c2cccc3ncccc23)cc1F.O=C1c2cccnc2CN1Cc1ccc(-c2ccnc3ccccc23)cc1F.O=C1c2cccnc2CN1Cc1ccc(-c2cnc3ccccc3c2)cc1F.

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

The InChIKey is GRPWTHZYBLILAA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H16FN3O.C20H16F3N3O.C18H15FN4O/c24-20-12-15(17-4-1-7-21-18(17)5-2-10-25-21)8-9-16(20)13-27-14-22-19(23(27)28)6-3-11-26-22;24-20-12-15(17-9-11-26-21-6-2-1-4-18(17)21)7-8-16(20)13-27-14-22-19(23(27)28)5-3-10-25-22;24-20-11-15(18-10-16-4-1-2-6-21(16)26-12-18)7-8-17(20)13-27-14-22-19(23(27)28)5-3-9-25-22;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;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/h3*1-12H,13-14H2;2-10H,11-12H2,1H3;2-9H,10-11H2,1H3.

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

6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-4-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one has a molecular weight of 1801.90 g/mol, XLogP of 20.81, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-4-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 158345019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).