2-tert-butyl-3-(4-chlorophenyl)-3-hydroxypyrrolo[3,4-c]pyridin-1-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-3-one;bis(2-tert-butyl-3-hydroxy-3-(4-methylphenyl)pyrrolo[3,4-c]pyridin-1-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[3,4-c]pyridin-3-one);tris(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-3-one);bis(2-tert-butyl-3-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one);3-(4-fluorophenyl)-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one

C204H219ClF2N30O15 — CID 159264869

About 2-tert-butyl-3-(4-chlorophenyl)-3-hydroxypyrrolo[3,4-c]pyridin-1-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-3-one;bis(2-tert-butyl-3-hydroxy-3-(4-methylphenyl)pyrrolo[3,4-c]pyridin-1-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[3,4-c]pyridin-3-one);tris(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-3-one);bis(2-tert-butyl-3-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one);3-(4-fluorophenyl)-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one

2-tert-butyl-3-(4-chlorophenyl)-3-hydroxypyrrolo[3,4-c]pyridin-1-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-3-one;bis(2-tert-butyl-3-hydroxy-3-(4-methylphenyl)pyrrolo[3,4-c]pyridin-1-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[3,4-c]pyridin-3-one);tris(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-3-one);bis(2-tert-butyl-3-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one);3-(4-fluorophenyl)-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 159264869) has the molecular formula C204H219ClF2N30O15 and a molecular weight of 3404.64 g/mol. Its IUPAC name is 2-tert-butyl-3-(4-chlorophenyl)-3-hydroxypyrrolo[3,4-c]pyridin-1-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-3-one;bis(2-tert-butyl-3-hydroxy-3-(4-methylphenyl)pyrrolo[3,4-c]pyridin-1-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[3,4-c]pyridin-3-one);tris(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-3-one);bis(2-tert-butyl-3-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one);3-(4-fluorophenyl)-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 2-tert-butyl-3-(4-chlorophenyl)-3-hydroxypyrrolo[3,4-c]pyridin-1-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-3-one;bis(2-tert-butyl-3-hydroxy-3-(4-methylphenyl)pyrrolo[3,4-c]pyridin-1-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[3,4-c]pyridin-3-one);tris(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-3-one);bis(2-tert-butyl-3-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one);3-(4-fluorophenyl)-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 159264869
• Molecular Formula: C204H219ClF2N30O15
• Molecular Weight: 3404.64 g/mol
• Exact Mass: 3401.70
• IUPAC Name: 2-tert-butyl-3-(4-chlorophenyl)-3-hydroxypyrrolo[3,4-c]pyridin-1-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-3-one;bis(2-tert-butyl-3-hydroxy-3-(4-methylphenyl)pyrrolo[3,4-c]pyridin-1-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[3,4-c]pyridin-3-one);tris(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-3-one);bis(2-tert-butyl-3-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one);3-(4-fluorophenyl)-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
• SMILES: CC(C)(C)N1C(=O)c2ccncc2C1(O)c1ccc(Cl)cc1.CC(C)(C)n1c(=O)c2ccncc2n1-c1ccc(F)cc1.CN1C(=O)c2ccncc2C1c1ccc(F)cc1.Cc1ccc(-n2c3ccncc3c(=O)n2C(C)(C)C)cc1.Cc1ccc(-n2c3ccncc3c(=O)n2C(C)(C)C)cc1.Cc1ccc(-n2c3ccncc3c(=O)n2C(C)(C)C)cc1.Cc1ccc(-n2c3cnccc3c(=O)n2C(C)(C)C)cc1.Cc1ccc(-n2c3cnccc3c(=O)n2C(C)(C)C)cc1.Cc1ccc(C2(O)c3cnccc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2(O)c3cnccc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2c3cnccc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2c3cnccc3C(=O)N2C(C)(C)C)cc1
• InChI: InChI=1S/2C18H20N2O2.2C18H20N2O.C17H17ClN2O2.5C17H19N3O.C16H16FN3O.C14H11FN2O/c2*1-12-5-7-13(8-6-12)18(22)15-11-19-10-9-14(15)16(21)20(18)17(2,3)4;2*1-12-5-7-13(8-6-12)16-15-11-19-10-9-14(15)17(21)20(16)18(2,3)4;1-16(2,3)20-15(21)13-8-9-19-10-14(13)17(20,22)11-4-6-12(18)7-5-11;3*1-12-5-7-13(8-6-12)19-15-9-10-18-11-14(15)16(21)20(19)17(2,3)4;2*1-12-5-7-13(8-6-12)19-15-11-18-10-9-14(15)16(21)20(19)17(2,3)4;1-16(2,3)20-15(21)13-8-9-18-10-14(13)19(20)12-6-4-11(17)5-7-12;1-17-13(9-2-4-10(15)5-3-9)12-8-16-7-6-11(12)14(17)18/h2*5-11,22H,1-4H3;2*5-11,16H,1-4H3;4-10,22H,1-3H3;5*5-11H,1-4H3;4-10H,1-3H3;2-8,13H,1H3
• InChIKey: KWYYVZSAKAMROR-UHFFFAOYSA-N
• XLogP: 38.06
• TPSA: 498.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 39
• Rotatable Bonds: 12
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3404.64
LogP ≤ 5	38.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(4-chlorophenyl)-3-hydroxypyrrolo[3,4-c]pyridin-1-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-3-one;bis(2-tert-butyl-3-hydroxy-3-(4-methylphenyl)pyrrolo[3,4-c]pyridin-1-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[3,4-c]pyridin-3-one);tris(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-3-one);bis(2-tert-butyl-3-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one);3-(4-fluorophenyl)-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?

The IUPAC name of 2-tert-butyl-3-(4-chlorophenyl)-3-hydroxypyrrolo[3,4-c]pyridin-1-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-3-one;bis(2-tert-butyl-3-hydroxy-3-(4-methylphenyl)pyrrolo[3,4-c]pyridin-1-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[3,4-c]pyridin-3-one);tris(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-3-one);bis(2-tert-butyl-3-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one);3-(4-fluorophenyl)-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 159264869) is 2-tert-butyl-3-(4-chlorophenyl)-3-hydroxypyrrolo[3,4-c]pyridin-1-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-3-one;bis(2-tert-butyl-3-hydroxy-3-(4-methylphenyl)pyrrolo[3,4-c]pyridin-1-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[3,4-c]pyridin-3-one);tris(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-3-one);bis(2-tert-butyl-3-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one);3-(4-fluorophenyl)-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one.

What is the SMILES notation for 2-tert-butyl-3-(4-chlorophenyl)-3-hydroxypyrrolo[3,4-c]pyridin-1-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-3-one;bis(2-tert-butyl-3-hydroxy-3-(4-methylphenyl)pyrrolo[3,4-c]pyridin-1-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[3,4-c]pyridin-3-one);tris(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-3-one);bis(2-tert-butyl-3-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one);3-(4-fluorophenyl)-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?

The canonical SMILES for 2-tert-butyl-3-(4-chlorophenyl)-3-hydroxypyrrolo[3,4-c]pyridin-1-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-3-one;bis(2-tert-butyl-3-hydroxy-3-(4-methylphenyl)pyrrolo[3,4-c]pyridin-1-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[3,4-c]pyridin-3-one);tris(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-3-one);bis(2-tert-butyl-3-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one);3-(4-fluorophenyl)-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one is CC(C)(C)N1C(=O)c2ccncc2C1(O)c1ccc(Cl)cc1.CC(C)(C)n1c(=O)c2ccncc2n1-c1ccc(F)cc1.CN1C(=O)c2ccncc2C1c1ccc(F)cc1.Cc1ccc(-n2c3ccncc3c(=O)n2C(C)(C)C)cc1.Cc1ccc(-n2c3ccncc3c(=O)n2C(C)(C)C)cc1.Cc1ccc(-n2c3ccncc3c(=O)n2C(C)(C)C)cc1.Cc1ccc(-n2c3cnccc3c(=O)n2C(C)(C)C)cc1.Cc1ccc(-n2c3cnccc3c(=O)n2C(C)(C)C)cc1.Cc1ccc(C2(O)c3cnccc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2(O)c3cnccc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2c3cnccc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2c3cnccc3C(=O)N2C(C)(C)C)cc1.

What is the InChIKey of 2-tert-butyl-3-(4-chlorophenyl)-3-hydroxypyrrolo[3,4-c]pyridin-1-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-3-one;bis(2-tert-butyl-3-hydroxy-3-(4-methylphenyl)pyrrolo[3,4-c]pyridin-1-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[3,4-c]pyridin-3-one);tris(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-3-one);bis(2-tert-butyl-3-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one);3-(4-fluorophenyl)-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?

The InChIKey is KWYYVZSAKAMROR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H20N2O2.2C18H20N2O.C17H17ClN2O2.5C17H19N3O.C16H16FN3O.C14H11FN2O/c2*1-12-5-7-13(8-6-12)18(22)15-11-19-10-9-14(15)16(21)20(18)17(2,3)4;2*1-12-5-7-13(8-6-12)16-15-11-19-10-9-14(15)17(21)20(16)18(2,3)4;1-16(2,3)20-15(21)13-8-9-19-10-14(13)17(20,22)11-4-6-12(18)7-5-11;3*1-12-5-7-13(8-6-12)19-15-9-10-18-11-14(15)16(21)20(19)17(2,3)4;2*1-12-5-7-13(8-6-12)19-15-11-18-10-9-14(15)16(21)20(19)17(2,3)4;1-16(2,3)20-15(21)13-8-9-18-10-14(13)19(20)12-6-4-11(17)5-7-12;1-17-13(9-2-4-10(15)5-3-9)12-8-16-7-6-11(12)14(17)18/h2*5-11,22H,1-4H3;2*5-11,16H,1-4H3;4-10,22H,1-3H3;5*5-11H,1-4H3;4-10H,1-3H3;2-8,13H,1H3.

What are the key properties of 2-tert-butyl-3-(4-chlorophenyl)-3-hydroxypyrrolo[3,4-c]pyridin-1-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-3-one;bis(2-tert-butyl-3-hydroxy-3-(4-methylphenyl)pyrrolo[3,4-c]pyridin-1-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[3,4-c]pyridin-3-one);tris(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-3-one);bis(2-tert-butyl-3-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one);3-(4-fluorophenyl)-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one?

2-tert-butyl-3-(4-chlorophenyl)-3-hydroxypyrrolo[3,4-c]pyridin-1-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-3-one;bis(2-tert-butyl-3-hydroxy-3-(4-methylphenyl)pyrrolo[3,4-c]pyridin-1-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[3,4-c]pyridin-3-one);tris(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-3-one);bis(2-tert-butyl-3-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one);3-(4-fluorophenyl)-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 3404.64 g/mol, XLogP of 38.06, 12 rotatable bonds, 3 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-3-(4-chlorophenyl)-3-hydroxypyrrolo[3,4-c]pyridin-1-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-3-one;bis(2-tert-butyl-3-hydroxy-3-(4-methylphenyl)pyrrolo[3,4-c]pyridin-1-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[3,4-c]pyridin-3-one);tris(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-c]pyridin-3-one);bis(2-tert-butyl-3-(4-methylphenyl)-3H-pyrrolo[3,4-c]pyridin-1-one);3-(4-fluorophenyl)-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 159264869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).