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-[(5,6-dimethoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5,6-dimethoxypyridin-2-amine

C80H71ClF6N10O13 — CID 157099234

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-[(5,6-dimethoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5,6-dimethoxypyridin-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-[(5,6-dimethoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5,6-dimethoxypyridin-2-amine (PubChem CID 157099234) has the molecular formula C80H71ClF6N10O13 and a molecular weight of 1529.95 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-[(5,6-dimethoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5,6-dimethoxypyridin-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-[(5,6-dimethoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5,6-dimethoxypyridin-2-amine
• PubChem CID: 157099234
• Molecular Formula: C80H71ClF6N10O13
• Molecular Weight: 1529.95 g/mol
• Exact Mass: 1528.48
• 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-[(5,6-dimethoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5,6-dimethoxypyridin-2-amine
• SMILES: COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cc4ccc(OC)c(OC)n4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.COc1ccc(Cc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1OC.COc1ccc(N)nc1OC
• InChI: InChI=1S/C30H27F2N3O5.C22H17ClF2N2O3.C21H17F2N3O3.C7H10N2O2/c1-37-20-10-8-17(26(14-20)39-3)15-35-16-24-27(30(35)36)18(12-19-9-11-25(38-2)29(33-19)40-4)13-23(34-24)28-21(31)6-5-7-22(28)32;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;1-28-17-7-6-12(25-21(17)29-2)8-11-9-15(19-13(22)4-3-5-14(19)23)26-16-10-24-20(27)18(11)16;1-10-5-3-4-6(8)9-7(5)11-2/h5-11,13-14H,12,15-16H2,1-4H3;3-9H,10-11H2,1-2H3;3-7,9H,8,10H2,1-2H3,(H,24,27);3-4H,1-2H3,(H2,8,9)
• InChIKey: AFOOFLNKDQDSGI-UHFFFAOYSA-N
• XLogP: 14.01
• TPSA: 265.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1529.95
LogP ≤ 5	14.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

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-[(5,6-dimethoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5,6-dimethoxypyridin-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-[(5,6-dimethoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5,6-dimethoxypyridin-2-amine (CID 157099234) 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-[(5,6-dimethoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5,6-dimethoxypyridin-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-[(5,6-dimethoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5,6-dimethoxypyridin-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-[(5,6-dimethoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5,6-dimethoxypyridin-2-amine is COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cc4ccc(OC)c(OC)n4)c3C2=O)c(OC)c1.COc1ccc(CN2Cc3nc(-c4c(F)cccc4F)cc(Cl)c3C2=O)c(OC)c1.COc1ccc(Cc2cc(-c3c(F)cccc3F)nc3c2C(=O)NC3)nc1OC.COc1ccc(N)nc1OC.

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-[(5,6-dimethoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5,6-dimethoxypyridin-2-amine?

The InChIKey is AFOOFLNKDQDSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2N3O5.C22H17ClF2N2O3.C21H17F2N3O3.C7H10N2O2/c1-37-20-10-8-17(26(14-20)39-3)15-35-16-24-27(30(35)36)18(12-19-9-11-25(38-2)29(33-19)40-4)13-23(34-24)28-21(31)6-5-7-22(28)32;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;1-28-17-7-6-12(25-21(17)29-2)8-11-9-15(19-13(22)4-3-5-14(19)23)26-16-10-24-20(27)18(11)16;1-10-5-3-4-6(8)9-7(5)11-2/h5-11,13-14H,12,15-16H2,1-4H3;3-9H,10-11H2,1-2H3;3-7,9H,8,10H2,1-2H3,(H,24,27);3-4H,1-2H3,(H2,8,9).

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-[(5,6-dimethoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5,6-dimethoxypyridin-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-[(5,6-dimethoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5,6-dimethoxypyridin-2-amine has a molecular weight of 1529.95 g/mol, XLogP of 14.01, 21 rotatable bonds, 2 hydrogen bond donors, and 20 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-[(5,6-dimethoxy-2-pyridinyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(2,6-difluorophenyl)-4-[(5,6-dimethoxy-2-pyridinyl)methyl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;5,6-dimethoxypyridin-2-amine is sourced from PubChem (CID 157099234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).