6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C111H83F6N17O5 — CID 157176682

About 6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 157176682) has the molecular formula C111H83F6N17O5 and a molecular weight of 1848.99 g/mol. Its IUPAC name is 6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 157176682
• Molecular Formula: C111H83F6N17O5
• Molecular Weight: 1848.99 g/mol
• Exact Mass: 1847.67
• IUPAC Name: 6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• SMILES: C=C1Cc2cc(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(F)c3)ccc2N1.Cn1ncc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc21.Cn1ncc2ccc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)cc21.O=C1c2cccnc2CN1Cc1ccc(-c2ccc3c(c2)CC=C3)cc1F.O=C1c2cccnc2CN1Cc1ccc(-c2cn3ccnc3cn2)cc1F
• InChI: InChI=1S/C23H17F2N3O.C23H18FN3O.C23H17FN2O.C22H17FN4O.C20H14FN5O/c1-13-7-16-8-14(4-5-21(16)27-13)15-9-19(24)18(20(25)10-15)11-28-12-22-17(23(28)29)3-2-6-26-22;1-26-22-11-16(6-8-17(22)12-25-26)15-7-9-19(21(24)10-15)14-27-13-18-4-2-3-5-20(18)23(27)28;24-21-12-18(17-7-6-15-3-1-4-16(15)11-17)8-9-19(21)13-26-14-22-20(23(26)27)5-2-10-25-22;1-26-21-7-6-14(9-17(21)11-25-26)15-4-5-16(19(23)10-15)12-27-13-20-18(22(27)28)3-2-8-24-20;21-16-8-13(17-11-25-7-6-23-19(25)9-24-17)3-4-14(16)10-26-12-18-15(20(26)27)2-1-5-22-18/h2-6,8-10,27H,1,7,11-12H2;2-12H,13-14H2,1H3;1-3,5-12H,4,13-14H2;2-11H,12-13H2,1H3;1-9,11H,10,12H2
• InChIKey: AOCAFCMPZKEQFW-UHFFFAOYSA-N
• XLogP: 20.83
• TPSA: 230.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1848.99
LogP ≤ 5	20.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The IUPAC name of 6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 157176682) is 6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

What is the SMILES notation for 6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The canonical SMILES for 6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is C=C1Cc2cc(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(F)c3)ccc2N1.Cn1ncc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc21.Cn1ncc2ccc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)cc21.O=C1c2cccnc2CN1Cc1ccc(-c2ccc3c(c2)CC=C3)cc1F.O=C1c2cccnc2CN1Cc1ccc(-c2cn3ccnc3cn2)cc1F.

What is the InChIKey of 6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The InChIKey is AOCAFCMPZKEQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O.C23H18FN3O.C23H17FN2O.C22H17FN4O.C20H14FN5O/c1-13-7-16-8-14(4-5-21(16)27-13)15-9-19(24)18(20(25)10-15)11-28-12-22-17(23(28)29)3-2-6-26-22;1-26-22-11-16(6-8-17(22)12-25-26)15-7-9-19(21(24)10-15)14-27-13-18-4-2-3-5-20(18)23(27)28;24-21-12-18(17-7-6-15-3-1-4-16(15)11-17)8-9-19(21)13-26-14-22-20(23(26)27)5-2-10-25-22;1-26-21-7-6-14(9-17(21)11-25-26)15-4-5-16(19(23)10-15)12-27-13-20-18(22(27)28)3-2-8-24-20;21-16-8-13(17-11-25-7-6-23-19(25)9-24-17)3-4-14(16)10-26-12-18-15(20(26)27)2-1-5-22-18/h2-6,8-10,27H,1,7,11-12H2;2-12H,13-14H2,1H3;1-3,5-12H,4,13-14H2;2-11H,12-13H2,1H3;1-9,11H,10,12H2.

What are the key properties of 6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 1848.99 g/mol, XLogP of 20.83, 15 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2,6-difluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-imidazo[1,2-a]pyrazin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3H-inden-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 157176682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).