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

C87H67F4N13O4 — CID 158896440

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

2-[(2-fluoro-4-isoquinolin-6-ylphenyl)methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one (PubChem CID 158896440) has the molecular formula C87H67F4N13O4 and a molecular weight of 1434.57 g/mol. Its IUPAC name is 2-[(2-fluoro-4-isoquinolin-6-ylphenyl)methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 2-[(2-fluoro-4-isoquinolin-6-ylphenyl)methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one
• PubChem CID: 158896440
• Molecular Formula: C87H67F4N13O4
• Molecular Weight: 1434.57 g/mol
• Exact Mass: 1433.54
• IUPAC Name: 2-[(2-fluoro-4-isoquinolin-6-ylphenyl)methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one
• SMILES: Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(F)c2)cn1.Cn1cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2n1.Cn1ncc2ccc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)cc21.O=C1c2ccccc2CN1Cc1ccc(-c2ccc3cnccc3c2)cc1F
• InChI: InChI=1S/C24H17FN2O.2C22H17FN4O.C19H16FN3O/c25-23-12-17(16-5-7-19-13-26-10-9-18(19)11-16)6-8-21(23)15-27-14-20-3-1-2-4-22(20)24(27)28;1-26-21-10-15(4-6-16(21)11-25-26)14-5-7-17(19(23)9-14)12-27-13-20-18(22(27)28)3-2-8-24-20;1-26-11-17-9-14(6-7-20(17)25-26)15-4-5-16(19(23)10-15)12-27-13-21-18(22(27)28)3-2-8-24-21;1-22-10-16(9-21-22)13-6-7-15(18(20)8-13)12-23-11-14-4-2-3-5-17(14)19(23)24/h1-13H,14-15H2;2*2-11H,12-13H2,1H3;2-10H,11-12H2,1H3
• InChIKey: JEWUELPLALAATM-UHFFFAOYSA-N
• XLogP: 16.44
• TPSA: 173.37 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1434.57
LogP ≤ 5	16.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 2-[(2-fluoro-4-isoquinolin-6-ylphenyl)methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one (CID 158896440) is 2-[(2-fluoro-4-isoquinolin-6-ylphenyl)methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one.

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

The canonical SMILES for 2-[(2-fluoro-4-isoquinolin-6-ylphenyl)methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one is Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(F)c2)cn1.Cn1cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2n1.Cn1ncc2ccc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)cc21.O=C1c2ccccc2CN1Cc1ccc(-c2ccc3cnccc3c2)cc1F.

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

The InChIKey is JEWUELPLALAATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O.2C22H17FN4O.C19H16FN3O/c25-23-12-17(16-5-7-19-13-26-10-9-18(19)11-16)6-8-21(23)15-27-14-20-3-1-2-4-22(20)24(27)28;1-26-21-10-15(4-6-16(21)11-25-26)14-5-7-17(19(23)9-14)12-27-13-20-18(22(27)28)3-2-8-24-20;1-26-11-17-9-14(6-7-20(17)25-26)15-4-5-16(19(23)10-15)12-27-13-21-18(22(27)28)3-2-8-24-21;1-22-10-16(9-21-22)13-6-7-15(18(20)8-13)12-23-11-14-4-2-3-5-17(14)19(23)24/h1-13H,14-15H2;2*2-11H,12-13H2,1H3;2-10H,11-12H2,1H3.

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

2-[(2-fluoro-4-isoquinolin-6-ylphenyl)methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one has a molecular weight of 1434.57 g/mol, XLogP of 16.44, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-fluoro-4-isoquinolin-6-ylphenyl)methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 158896440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).