6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C107H82ClF4N17O5 — CID 157079150

About 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 157079150) has the molecular formula C107H82ClF4N17O5 and a molecular weight of 1797.39 g/mol. Its IUPAC name is 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 157079150
• Molecular Formula: C107H82ClF4N17O5
• Molecular Weight: 1797.39 g/mol
• Exact Mass: 1795.63
• IUPAC Name: 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• SMILES: Cc1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cnc1Cl.Cc1ccc(-c2cccc3nn(C)cc23)cc1CN1Cc2ncccc2C1=O.Cn1cc2cc(-c3ccc(F)c(CN4Cc5ncccc5C4=O)c3)ccc2n1.O=C1c2cccnc2CN1Cc1ccc(-c2ccc3ncccc3c2)cc1F.O=C1c2cccnc2CN1Cc1ccc(-c2cccnc2)cc1F
• InChI: InChI=1S/C23H16FN3O.C23H20N4O.C22H17FN4O.C20H15ClFN3O.C19H14FN3O/c24-20-12-16(15-7-8-21-17(11-15)3-1-9-25-21)5-6-18(20)13-27-14-22-19(23(27)28)4-2-10-26-22;1-15-8-9-16(18-5-3-7-21-20(18)13-26(2)25-21)11-17(15)12-27-14-22-19(23(27)28)6-4-10-24-22;1-26-11-17-10-15(5-7-20(17)25-26)14-4-6-19(23)16(9-14)12-27-13-21-18(22(27)28)3-2-8-24-21;1-12-7-15(9-24-19(12)21)13-4-5-14(17(22)8-13)10-25-11-18-16(20(25)26)3-2-6-23-18;20-17-9-13(14-3-1-7-21-10-14)5-6-15(17)11-23-12-18-16(19(23)24)4-2-8-22-18/h1-12H,13-14H2;3-11,13H,12,14H2,1-2H3;2-11H,12-13H2,1H3;2-9H,10-11H2,1H3;1-10H,11-12H2
• InChIKey: ADIBEZQXWQRWFF-UHFFFAOYSA-N
• XLogP: 20.46
• TPSA: 240.31 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1797.39
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The IUPAC name of 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 157079150) is 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

What is the SMILES notation for 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The canonical SMILES for 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cnc1Cl.Cc1ccc(-c2cccc3nn(C)cc23)cc1CN1Cc2ncccc2C1=O.Cn1cc2cc(-c3ccc(F)c(CN4Cc5ncccc5C4=O)c3)ccc2n1.O=C1c2cccnc2CN1Cc1ccc(-c2ccc3ncccc3c2)cc1F.O=C1c2cccnc2CN1Cc1ccc(-c2cccnc2)cc1F.

What is the InChIKey of 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The InChIKey is ADIBEZQXWQRWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN3O.C23H20N4O.C22H17FN4O.C20H15ClFN3O.C19H14FN3O/c24-20-12-16(15-7-8-21-17(11-15)3-1-9-25-21)5-6-18(20)13-27-14-22-19(23(27)28)4-2-10-26-22;1-15-8-9-16(18-5-3-7-21-20(18)13-26(2)25-21)11-17(15)12-27-14-22-19(23(27)28)6-4-10-24-22;1-26-11-17-10-15(5-7-20(17)25-26)14-4-6-19(23)16(9-14)12-27-13-21-18(22(27)28)3-2-8-24-21;1-12-7-15(9-24-19(12)21)13-4-5-14(17(22)8-13)10-25-11-18-16(20(25)26)3-2-6-23-18;20-17-9-13(14-3-1-7-21-10-14)5-6-15(17)11-23-12-18-16(19(23)24)4-2-8-22-18/h1-12H,13-14H2;3-11,13H,12,14H2,1-2H3;2-11H,12-13H2,1H3;2-9H,10-11H2,1H3;1-10H,11-12H2.

What are the key properties of 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 1797.39 g/mol, XLogP of 20.46, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-(6-chloro-5-methyl-3-pyridinyl)-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-fluoro-5-(2-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluoro-4-quinolin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-methyl-5-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 157079150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).