6-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(4-methoxyphenyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrrol-3-yl)phenyl]methyl]-3-methyl-3H-isoindol-1-one;6-[(2-fluoro-4-naphthalen-2-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C112H88F6N12O6 — CID 158717882

About 6-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(4-methoxyphenyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrrol-3-yl)phenyl]methyl]-3-methyl-3H-isoindol-1-one;6-[(2-fluoro-4-naphthalen-2-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(4-methoxyphenyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrrol-3-yl)phenyl]methyl]-3-methyl-3H-isoindol-1-one;6-[(2-fluoro-4-naphthalen-2-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 158717882) has the molecular formula C112H88F6N12O6 and a molecular weight of 1812.00 g/mol. Its IUPAC name is 6-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(4-methoxyphenyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrrol-3-yl)phenyl]methyl]-3-methyl-3H-isoindol-1-one;6-[(2-fluoro-4-naphthalen-2-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 6-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(4-methoxyphenyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrrol-3-yl)phenyl]methyl]-3-methyl-3H-isoindol-1-one;6-[(2-fluoro-4-naphthalen-2-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 158717882
• Molecular Formula: C112H88F6N12O6
• Molecular Weight: 1812.00 g/mol
• Exact Mass: 1810.69
• IUPAC Name: 6-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(4-methoxyphenyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrrol-3-yl)phenyl]methyl]-3-methyl-3H-isoindol-1-one;6-[(2-fluoro-4-naphthalen-2-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• SMILES: CC1c2ccccc2C(=O)N1Cc1ccc(-c2ccn(C)c2)cc1F.COc1ccc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cc1.Cn1cc2cc(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(F)c3)ccc2n1.Cn1ccc2cc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)ccc21.O=C1c2cccnc2CN1Cc1ccc(-c2ccc3ccccc3c2)cc1F
• InChI: InChI=1S/C24H19FN2O.C24H17FN2O.C22H16F2N4O.C21H17FN2O2.C21H19FN2O/c1-26-11-10-18-12-16(8-9-23(18)26)17-6-7-20(22(25)13-17)15-27-14-19-4-2-3-5-21(19)24(27)28;25-22-13-19(18-8-7-16-4-1-2-5-17(16)12-18)9-10-20(22)14-27-15-23-21(24(27)28)6-3-11-26-23;1-27-10-15-7-13(4-5-20(15)26-27)14-8-18(23)17(19(24)9-14)11-28-12-21-16(22(28)29)3-2-6-25-21;1-26-17-8-6-14(7-9-17)15-4-5-16(19(22)11-15)12-24-13-20-18(21(24)25)3-2-10-23-20;1-14-18-5-3-4-6-19(18)21(25)24(14)13-17-8-7-15(11-20(17)22)16-9-10-23(2)12-16/h2-13H,14-15H2,1H3;1-13H,14-15H2;2-10H,11-12H2,1H3;2-11H,12-13H2,1H3;3-12,14H,13H2,1-2H3
• InChIKey: IJNWHHWOTCPEAF-UHFFFAOYSA-N
• XLogP: 23.01
• TPSA: 177.13 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1812.00
LogP ≤ 5	23.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 6-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(4-methoxyphenyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrrol-3-yl)phenyl]methyl]-3-methyl-3H-isoindol-1-one;6-[(2-fluoro-4-naphthalen-2-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 158717882) is 6-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(4-methoxyphenyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrrol-3-yl)phenyl]methyl]-3-methyl-3H-isoindol-1-one;6-[(2-fluoro-4-naphthalen-2-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

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

The canonical SMILES for 6-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(4-methoxyphenyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrrol-3-yl)phenyl]methyl]-3-methyl-3H-isoindol-1-one;6-[(2-fluoro-4-naphthalen-2-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is CC1c2ccccc2C(=O)N1Cc1ccc(-c2ccn(C)c2)cc1F.COc1ccc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cc1.Cn1cc2cc(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(F)c3)ccc2n1.Cn1ccc2cc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)ccc21.O=C1c2cccnc2CN1Cc1ccc(-c2ccc3ccccc3c2)cc1F.

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

The InChIKey is IJNWHHWOTCPEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O.C24H17FN2O.C22H16F2N4O.C21H17FN2O2.C21H19FN2O/c1-26-11-10-18-12-16(8-9-23(18)26)17-6-7-20(22(25)13-17)15-27-14-19-4-2-3-5-21(19)24(27)28;25-22-13-19(18-8-7-16-4-1-2-5-17(16)12-18)9-10-20(22)14-27-15-23-21(24(27)28)6-3-11-26-23;1-27-10-15-7-13(4-5-20(15)26-27)14-8-18(23)17(19(24)9-14)11-28-12-21-16(22(28)29)3-2-6-25-21;1-26-17-8-6-14(7-9-17)15-4-5-16(19(22)11-15)12-24-13-20-18(21(24)25)3-2-10-23-20;1-14-18-5-3-4-6-19(18)21(25)24(14)13-17-8-7-15(11-20(17)22)16-9-10-23(2)12-16/h2-13H,14-15H2,1H3;1-13H,14-15H2;2-10H,11-12H2,1H3;2-11H,12-13H2,1H3;3-12,14H,13H2,1-2H3.

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

6-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(4-methoxyphenyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrrol-3-yl)phenyl]methyl]-3-methyl-3H-isoindol-1-one;6-[(2-fluoro-4-naphthalen-2-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 1812.00 g/mol, XLogP of 23.01, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2,6-difluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(4-methoxyphenyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindol-5-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrrol-3-yl)phenyl]methyl]-3-methyl-3H-isoindol-1-one;6-[(2-fluoro-4-naphthalen-2-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 158717882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).