4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-methoxypyridin-2-amine

C77H65ClF6N10O10 — CID 158113245

About 4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-methoxypyridin-2-amine

4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-methoxypyridin-2-amine (PubChem CID 158113245) has the molecular formula C77H65ClF6N10O10 and a molecular weight of 1439.87 g/mol. Its IUPAC name is 4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-methoxypyridin-2-amine.

Molecular Properties

• Compound Name: 4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-methoxypyridin-2-amine
• PubChem CID: 158113245
• Molecular Formula: C77H65ClF6N10O10
• Molecular Weight: 1439.87 g/mol
• Exact Mass: 1438.45
• IUPAC Name: 4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-methoxypyridin-2-amine
• SMILES: COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.COc1ccc(Cc2cc(-c3c(F)cccc3F)nc3c2C(=O)N(Cc2ccc(OC)cc2OC)C3)nc1.COc1ccc(Cc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1.COc1ccc(N)nc1
• InChI: InChI=1S/C29H25F2N3O4.C22H17ClF2N2O3.C20H15F2N3O2.C6H8N2O/c1-36-20-9-7-17(26(13-20)38-3)15-34-16-25-27(29(34)35)18(11-19-8-10-21(37-2)14-32-19)12-24(33-25)28-22(30)5-4-6-23(28)31;1-29-13-7-6-12(19(8-13)30-2)10-27-11-18-20(22(27)28)14(23)9-17(26-18)21-15(24)4-3-5-16(21)25;1-27-13-6-5-12(23-9-13)7-11-8-16(19-14(21)3-2-4-15(19)22)25-17-10-24-20(26)18(11)17;1-9-5-2-3-6(7)8-4-5/h4-10,12-14H,11,15-16H2,1-3H3;3-9H,10-11H2,1-2H3;2-6,8-9H,7,10H2,1H3,(H,24,26);2-4H,1H3,(H2,7,8)
• InChIKey: FQRPWGWVWVXHMT-UHFFFAOYSA-N
• XLogP: 13.98
• TPSA: 237.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1439.87
LogP ≤ 5	13.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-methoxypyridin-2-amine?

The IUPAC name of 4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-methoxypyridin-2-amine (CID 158113245) is 4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-methoxypyridin-2-amine.

What is the SMILES notation for 4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-methoxypyridin-2-amine?

The canonical SMILES for 4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-methoxypyridin-2-amine is COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.COc1ccc(Cc2cc(-c3c(F)cccc3F)nc3c2C(=O)N(Cc2ccc(OC)cc2OC)C3)nc1.COc1ccc(Cc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1.COc1ccc(N)nc1.

What is the InChIKey of 4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-methoxypyridin-2-amine?

The InChIKey is FQRPWGWVWVXHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N3O4.C22H17ClF2N2O3.C20H15F2N3O2.C6H8N2O/c1-36-20-9-7-17(26(13-20)38-3)15-34-16-25-27(29(34)35)18(11-19-8-10-21(37-2)14-32-19)12-24(33-25)28-22(30)5-4-6-23(28)31;1-29-13-7-6-12(19(8-13)30-2)10-27-11-18-20(22(27)28)14(23)9-17(26-18)21-15(24)4-3-5-16(21)25;1-27-13-6-5-12(23-9-13)7-11-8-16(19-14(21)3-2-4-15(19)22)25-17-10-24-20(26)18(11)17;1-9-5-2-3-6(7)8-4-5/h4-10,12-14H,11,15-16H2,1-3H3;3-9H,10-11H2,1-2H3;2-6,8-9H,7,10H2,1H3,(H,24,26);2-4H,1H3,(H2,7,8).

What are the key properties of 4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-methoxypyridin-2-amine?

4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-methoxypyridin-2-amine has a molecular weight of 1439.87 g/mol, XLogP of 13.98, 18 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-6-[(2,4-dimethoxyphenyl)methyl]-4-[(5-methoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5-methoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5-methoxypyridin-2-amine is sourced from PubChem (CID 158113245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).