6-[(2-chloro-4-isoquinolin-6-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-4-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C105H79Cl3F2N16O6S — CID 159188763

About 6-[(2-chloro-4-isoquinolin-6-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-4-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[(2-chloro-4-isoquinolin-6-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-4-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 159188763) has the molecular formula C105H79Cl3F2N16O6S and a molecular weight of 1837.31 g/mol. Its IUPAC name is 6-[(2-chloro-4-isoquinolin-6-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-4-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

• Compound Name: 6-[(2-chloro-4-isoquinolin-6-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-4-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• PubChem CID: 159188763
• Molecular Formula: C105H79Cl3F2N16O6S
• Molecular Weight: 1837.31 g/mol
• Exact Mass: 1834.51
• IUPAC Name: 6-[(2-chloro-4-isoquinolin-6-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-4-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
• SMILES: Cn1cc2cc(-c3ccc(CN4Cc5ccccc5S4(=O)=O)c(F)c3)ccc2n1.Cn1ncc2ccc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)cc21.O=C1c2ncccc2CN1Cc1ccc(-c2ccc3cnccc3c2)cc1Cl.O=C1c2ncccc2CN1Cc1ccc(-c2cccnc2)cc1Cl.O=C1c2ncccc2CN1Cc1ccc(-c2ccncc2)cc1Cl
• InChI: InChI=1S/C23H16ClN3O.C22H17FN4O.C22H18FN3O2S.2C19H14ClN3O/c24-21-11-16(15-3-5-18-12-25-9-7-17(18)10-15)4-6-19(21)13-27-14-20-2-1-8-26-22(20)23(27)28;1-26-21-10-15(4-6-16(21)11-25-26)14-5-7-17(19(23)9-14)12-27-13-20-18(22(27)28)3-2-8-24-20;1-25-12-19-10-15(8-9-21(19)24-25)16-6-7-17(20(23)11-16)13-26-14-18-4-2-3-5-22(18)29(26,27)28;20-17-9-13(14-3-1-7-21-10-14)5-6-15(17)11-23-12-16-4-2-8-22-18(16)19(23)24;20-17-10-14(13-5-8-21-9-6-13)3-4-15(17)11-23-12-16-2-1-7-22-18(16)19(23)24/h1-12H,13-14H2;2-11H,12-13H2,1H3;2-12H,13-14H2,1H3;2*1-10H,11-12H2
• InChIKey: KNUWVYMBEUTKHI-UHFFFAOYSA-N
• XLogP: 21.03
• TPSA: 244.49 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1837.31
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 6-[(2-chloro-4-isoquinolin-6-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-4-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 159188763) is 6-[(2-chloro-4-isoquinolin-6-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-4-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

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

The canonical SMILES for 6-[(2-chloro-4-isoquinolin-6-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-4-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cn1cc2cc(-c3ccc(CN4Cc5ccccc5S4(=O)=O)c(F)c3)ccc2n1.Cn1ncc2ccc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)cc21.O=C1c2ncccc2CN1Cc1ccc(-c2ccc3cnccc3c2)cc1Cl.O=C1c2ncccc2CN1Cc1ccc(-c2cccnc2)cc1Cl.O=C1c2ncccc2CN1Cc1ccc(-c2ccncc2)cc1Cl.

What is the InChIKey of 6-[(2-chloro-4-isoquinolin-6-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-4-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?

The InChIKey is KNUWVYMBEUTKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O.C22H17FN4O.C22H18FN3O2S.2C19H14ClN3O/c24-21-11-16(15-3-5-18-12-25-9-7-17(18)10-15)4-6-19(21)13-27-14-20-2-1-8-26-22(20)23(27)28;1-26-21-10-15(4-6-16(21)11-25-26)14-5-7-17(19(23)9-14)12-27-13-20-18(22(27)28)3-2-8-24-20;1-25-12-19-10-15(8-9-21(19)24-25)16-6-7-17(20(23)11-16)13-26-14-18-4-2-3-5-22(18)29(26,27)28;20-17-9-13(14-3-1-7-21-10-14)5-6-15(17)11-23-12-16-4-2-8-22-18(16)19(23)24;20-17-10-14(13-5-8-21-9-6-13)3-4-15(17)11-23-12-16-2-1-7-22-18(16)19(23)24/h1-12H,13-14H2;2-11H,12-13H2,1H3;2-12H,13-14H2,1H3;2*1-10H,11-12H2.

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

6-[(2-chloro-4-isoquinolin-6-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-4-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 1837.31 g/mol, XLogP of 21.03, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-chloro-4-isoquinolin-6-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-3-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[(2-chloro-4-pyridin-4-ylphenyl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;2-[[2-fluoro-4-(2-methylindazol-5-yl)phenyl]methyl]-3H-1,2-benzothiazole 1,1-dioxide;6-[[2-fluoro-4-(1-methylindazol-6-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 159188763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).