6-[[2,6-difluoro-4-(3-methylbenzimidazol-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-isoquinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C113H84F7N17O5 — CID 157403485

About 6-[[2,6-difluoro-4-(3-methylbenzimidazol-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-isoquinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[[2,6-difluoro-4-(3-methylbenzimidazol-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-isoquinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 157403485) has the molecular formula C113H84F7N17O5 and a molecular weight of 1893.01 g/mol. Its IUPAC name is 6-[[2,6-difluoro-4-(3-methylbenzimidazol-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-isoquinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 6-[[2,6-difluoro-4-(3-methylbenzimidazol-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-isoquinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 157403485
• Molecular Formula: C113H84F7N17O5
• Molecular Weight: 1893.01 g/mol
• Exact Mass: 1891.67
• IUPAC Name: 6-[[2,6-difluoro-4-(3-methylbenzimidazol-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-isoquinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• SMILES: C=C1Cc2cc(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(F)c3)ccc2N1.C=C1Cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2N1.Cn1cnc2ccc(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(F)c3)cc21.Cn1cnc2ccc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)cc21.O=C1c2cccnc2CN1Cc1ccc(-c2ccc3cnccc3c2)cc1F
• InChI: InChI=1S/C23H17F2N3O.C23H18FN3O.C23H16FN3O.C22H16F2N4O.C22H17FN4O/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;1-14-9-18-10-15(6-7-21(18)26-14)16-4-5-17(20(24)11-16)12-27-13-22-19(23(27)28)3-2-8-25-22;24-21-11-16(15-3-5-18-12-25-9-7-17(18)10-15)4-6-19(21)13-27-14-22-20(23(27)28)2-1-8-26-22;1-27-12-26-19-5-4-13(9-21(19)27)14-7-17(23)16(18(24)8-14)10-28-11-20-15(22(28)29)3-2-6-25-20;1-26-13-25-19-7-6-15(10-21(19)26)14-4-5-16(18(23)9-14)11-27-12-20-17(22(27)28)3-2-8-24-20/h2-6,8-10,27H,1,7,11-12H2;2-8,10-11,26H,1,9,12-13H2;1-12H,13-14H2;2-9,12H,10-11H2,1H3;2-10,13H,11-12H2,1H3
• InChIKey: BNLGWOVHNHUQBC-UHFFFAOYSA-N
• XLogP: 21.78
• TPSA: 238.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1893.01
LogP ≤ 5	21.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 6-[[2,6-difluoro-4-(3-methylbenzimidazol-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-isoquinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 157403485) is 6-[[2,6-difluoro-4-(3-methylbenzimidazol-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-isoquinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

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

The canonical SMILES for 6-[[2,6-difluoro-4-(3-methylbenzimidazol-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-isoquinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is C=C1Cc2cc(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(F)c3)ccc2N1.C=C1Cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2N1.Cn1cnc2ccc(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(F)c3)cc21.Cn1cnc2ccc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)cc21.O=C1c2cccnc2CN1Cc1ccc(-c2ccc3cnccc3c2)cc1F.

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

The InChIKey is BNLGWOVHNHUQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N3O.C23H18FN3O.C23H16FN3O.C22H16F2N4O.C22H17FN4O/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;1-14-9-18-10-15(6-7-21(18)26-14)16-4-5-17(20(24)11-16)12-27-13-22-19(23(27)28)3-2-8-25-22;24-21-11-16(15-3-5-18-12-25-9-7-17(18)10-15)4-6-19(21)13-27-14-22-20(23(27)28)2-1-8-26-22;1-27-12-26-19-5-4-13(9-21(19)27)14-7-17(23)16(18(24)8-14)10-28-11-20-15(22(28)29)3-2-6-25-20;1-26-13-25-19-7-6-15(10-21(19)26)14-4-5-16(18(23)9-14)11-27-12-20-17(22(27)28)3-2-8-24-20/h2-6,8-10,27H,1,7,11-12H2;2-8,10-11,26H,1,9,12-13H2;1-12H,13-14H2;2-9,12H,10-11H2,1H3;2-10,13H,11-12H2,1H3.

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

6-[[2,6-difluoro-4-(3-methylbenzimidazol-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-isoquinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 1893.01 g/mol, XLogP of 21.78, 15 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2,6-difluoro-4-(3-methylbenzimidazol-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-isoquinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 157403485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).