6-tert-butyl-5-(4-chlorophenyl)-5-hydroxypyrrolo[3,4-b]pyridin-7-one;2-tert-butyl-1-(4-chlorophenyl)-1-hydroxypyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-3-one;bis(6-tert-butyl-5-hydroxy-5-(4-methylphenyl)pyrrolo[3,4-b]pyridin-7-one);bis(2-tert-butyl-1-hydroxy-1-(4-methylphenyl)pyrrolo[3,4-c]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-b]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one);2-methyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one

C207H222Cl2FN27O18 — CID 159177146

About 6-tert-butyl-5-(4-chlorophenyl)-5-hydroxypyrrolo[3,4-b]pyridin-7-one;2-tert-butyl-1-(4-chlorophenyl)-1-hydroxypyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-3-one;bis(6-tert-butyl-5-hydroxy-5-(4-methylphenyl)pyrrolo[3,4-b]pyridin-7-one);bis(2-tert-butyl-1-hydroxy-1-(4-methylphenyl)pyrrolo[3,4-c]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-b]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one);2-methyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one

6-tert-butyl-5-(4-chlorophenyl)-5-hydroxypyrrolo[3,4-b]pyridin-7-one;2-tert-butyl-1-(4-chlorophenyl)-1-hydroxypyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-3-one;bis(6-tert-butyl-5-hydroxy-5-(4-methylphenyl)pyrrolo[3,4-b]pyridin-7-one);bis(2-tert-butyl-1-hydroxy-1-(4-methylphenyl)pyrrolo[3,4-c]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-b]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one);2-methyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 159177146) has the molecular formula C207H222Cl2FN27O18 and a molecular weight of 3466.13 g/mol. Its IUPAC name is 6-tert-butyl-5-(4-chlorophenyl)-5-hydroxypyrrolo[3,4-b]pyridin-7-one;2-tert-butyl-1-(4-chlorophenyl)-1-hydroxypyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-3-one;bis(6-tert-butyl-5-hydroxy-5-(4-methylphenyl)pyrrolo[3,4-b]pyridin-7-one);bis(2-tert-butyl-1-hydroxy-1-(4-methylphenyl)pyrrolo[3,4-c]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-b]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one);2-methyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

• Compound Name: 6-tert-butyl-5-(4-chlorophenyl)-5-hydroxypyrrolo[3,4-b]pyridin-7-one;2-tert-butyl-1-(4-chlorophenyl)-1-hydroxypyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-3-one;bis(6-tert-butyl-5-hydroxy-5-(4-methylphenyl)pyrrolo[3,4-b]pyridin-7-one);bis(2-tert-butyl-1-hydroxy-1-(4-methylphenyl)pyrrolo[3,4-c]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-b]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one);2-methyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one
• PubChem CID: 159177146
• Molecular Formula: C207H222Cl2FN27O18
• Molecular Weight: 3466.13 g/mol
• Exact Mass: 3462.66
• IUPAC Name: 6-tert-butyl-5-(4-chlorophenyl)-5-hydroxypyrrolo[3,4-b]pyridin-7-one;2-tert-butyl-1-(4-chlorophenyl)-1-hydroxypyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-3-one;bis(6-tert-butyl-5-hydroxy-5-(4-methylphenyl)pyrrolo[3,4-b]pyridin-7-one);bis(2-tert-butyl-1-hydroxy-1-(4-methylphenyl)pyrrolo[3,4-c]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-b]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one);2-methyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one
• SMILES: CC(C)(C)N1C(=O)c2cnccc2C1(O)c1ccc(Cl)cc1.CC(C)(C)N1C(=O)c2ncccc2C1(O)c1ccc(Cl)cc1.CC(C)(C)n1c(=O)c2ncccc2n1-c1ccc(F)cc1.Cc1ccc(-n2c3cccnc3c(=O)n2C(C)(C)C)cc1.Cc1ccc(-n2c3cccnc3c(=O)n2C(C)(C)C)cc1.Cc1ccc(C2(O)c3cccnc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2(O)c3cccnc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2(O)c3ccncc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2(O)c3ccncc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2c3ccncc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2c3ccncc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2c3ccncc3C(=O)N2C)cc1
• InChI: InChI=1S/4C18H20N2O2.2C18H20N2O.2C17H17ClN2O2.2C17H19N3O.C16H16FN3O.C15H14N2O/c2*1-12-5-7-13(8-6-12)18(22)15-9-10-19-11-14(15)16(21)20(18)17(2,3)4;2*1-12-7-9-13(10-8-12)18(22)14-6-5-11-19-15(14)16(21)20(18)17(2,3)4;2*1-12-5-7-13(8-6-12)16-14-9-10-19-11-15(14)17(21)20(16)18(2,3)4;1-16(2,3)20-15(21)13-10-19-9-8-14(13)17(20,22)11-4-6-12(18)7-5-11;1-16(2,3)20-15(21)14-13(5-4-10-19-14)17(20,22)11-6-8-12(18)9-7-11;2*1-12-7-9-13(10-8-12)19-14-6-5-11-18-15(14)16(21)20(19)17(2,3)4;1-16(2,3)20-15(21)14-13(5-4-10-18-14)19(20)12-8-6-11(17)7-9-12;1-10-3-5-11(6-4-10)14-12-7-8-16-9-13(12)15(18)17(14)2/h4*5-11,22H,1-4H3;2*5-11,16H,1-4H3;2*4-10,22H,1-3H3;2*5-11H,1-4H3;4-10H,1-3H3;3-9,14H,1-2H3
• InChIKey: KMKQXEIMIFGNBC-UHFFFAOYSA-N
• XLogP: 37.33
• TPSA: 539.64 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 12
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3466.13
LogP ≤ 5	37.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-(4-chlorophenyl)-5-hydroxypyrrolo[3,4-b]pyridin-7-one;2-tert-butyl-1-(4-chlorophenyl)-1-hydroxypyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-3-one;bis(6-tert-butyl-5-hydroxy-5-(4-methylphenyl)pyrrolo[3,4-b]pyridin-7-one);bis(2-tert-butyl-1-hydroxy-1-(4-methylphenyl)pyrrolo[3,4-c]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-b]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one);2-methyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one?

The IUPAC name of 6-tert-butyl-5-(4-chlorophenyl)-5-hydroxypyrrolo[3,4-b]pyridin-7-one;2-tert-butyl-1-(4-chlorophenyl)-1-hydroxypyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-3-one;bis(6-tert-butyl-5-hydroxy-5-(4-methylphenyl)pyrrolo[3,4-b]pyridin-7-one);bis(2-tert-butyl-1-hydroxy-1-(4-methylphenyl)pyrrolo[3,4-c]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-b]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one);2-methyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one (CID 159177146) is 6-tert-butyl-5-(4-chlorophenyl)-5-hydroxypyrrolo[3,4-b]pyridin-7-one;2-tert-butyl-1-(4-chlorophenyl)-1-hydroxypyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-3-one;bis(6-tert-butyl-5-hydroxy-5-(4-methylphenyl)pyrrolo[3,4-b]pyridin-7-one);bis(2-tert-butyl-1-hydroxy-1-(4-methylphenyl)pyrrolo[3,4-c]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-b]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one);2-methyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one.

What is the SMILES notation for 6-tert-butyl-5-(4-chlorophenyl)-5-hydroxypyrrolo[3,4-b]pyridin-7-one;2-tert-butyl-1-(4-chlorophenyl)-1-hydroxypyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-3-one;bis(6-tert-butyl-5-hydroxy-5-(4-methylphenyl)pyrrolo[3,4-b]pyridin-7-one);bis(2-tert-butyl-1-hydroxy-1-(4-methylphenyl)pyrrolo[3,4-c]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-b]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one);2-methyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one?

The canonical SMILES for 6-tert-butyl-5-(4-chlorophenyl)-5-hydroxypyrrolo[3,4-b]pyridin-7-one;2-tert-butyl-1-(4-chlorophenyl)-1-hydroxypyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-3-one;bis(6-tert-butyl-5-hydroxy-5-(4-methylphenyl)pyrrolo[3,4-b]pyridin-7-one);bis(2-tert-butyl-1-hydroxy-1-(4-methylphenyl)pyrrolo[3,4-c]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-b]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one);2-methyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one is CC(C)(C)N1C(=O)c2cnccc2C1(O)c1ccc(Cl)cc1.CC(C)(C)N1C(=O)c2ncccc2C1(O)c1ccc(Cl)cc1.CC(C)(C)n1c(=O)c2ncccc2n1-c1ccc(F)cc1.Cc1ccc(-n2c3cccnc3c(=O)n2C(C)(C)C)cc1.Cc1ccc(-n2c3cccnc3c(=O)n2C(C)(C)C)cc1.Cc1ccc(C2(O)c3cccnc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2(O)c3cccnc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2(O)c3ccncc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2(O)c3ccncc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2c3ccncc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2c3ccncc3C(=O)N2C(C)(C)C)cc1.Cc1ccc(C2c3ccncc3C(=O)N2C)cc1.

What is the InChIKey of 6-tert-butyl-5-(4-chlorophenyl)-5-hydroxypyrrolo[3,4-b]pyridin-7-one;2-tert-butyl-1-(4-chlorophenyl)-1-hydroxypyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-3-one;bis(6-tert-butyl-5-hydroxy-5-(4-methylphenyl)pyrrolo[3,4-b]pyridin-7-one);bis(2-tert-butyl-1-hydroxy-1-(4-methylphenyl)pyrrolo[3,4-c]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-b]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one);2-methyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one?

The InChIKey is KMKQXEIMIFGNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H20N2O2.2C18H20N2O.2C17H17ClN2O2.2C17H19N3O.C16H16FN3O.C15H14N2O/c2*1-12-5-7-13(8-6-12)18(22)15-9-10-19-11-14(15)16(21)20(18)17(2,3)4;2*1-12-7-9-13(10-8-12)18(22)14-6-5-11-19-15(14)16(21)20(18)17(2,3)4;2*1-12-5-7-13(8-6-12)16-14-9-10-19-11-15(14)17(21)20(16)18(2,3)4;1-16(2,3)20-15(21)13-10-19-9-8-14(13)17(20,22)11-4-6-12(18)7-5-11;1-16(2,3)20-15(21)14-13(5-4-10-19-14)17(20,22)11-6-8-12(18)9-7-11;2*1-12-7-9-13(10-8-12)19-14-6-5-11-18-15(14)16(21)20(19)17(2,3)4;1-16(2,3)20-15(21)14-13(5-4-10-18-14)19(20)12-8-6-11(17)7-9-12;1-10-3-5-11(6-4-10)14-12-7-8-16-9-13(12)15(18)17(14)2/h4*5-11,22H,1-4H3;2*5-11,16H,1-4H3;2*4-10,22H,1-3H3;2*5-11H,1-4H3;4-10H,1-3H3;3-9,14H,1-2H3.

What are the key properties of 6-tert-butyl-5-(4-chlorophenyl)-5-hydroxypyrrolo[3,4-b]pyridin-7-one;2-tert-butyl-1-(4-chlorophenyl)-1-hydroxypyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-3-one;bis(6-tert-butyl-5-hydroxy-5-(4-methylphenyl)pyrrolo[3,4-b]pyridin-7-one);bis(2-tert-butyl-1-hydroxy-1-(4-methylphenyl)pyrrolo[3,4-c]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-b]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one);2-methyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one?

6-tert-butyl-5-(4-chlorophenyl)-5-hydroxypyrrolo[3,4-b]pyridin-7-one;2-tert-butyl-1-(4-chlorophenyl)-1-hydroxypyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-3-one;bis(6-tert-butyl-5-hydroxy-5-(4-methylphenyl)pyrrolo[3,4-b]pyridin-7-one);bis(2-tert-butyl-1-hydroxy-1-(4-methylphenyl)pyrrolo[3,4-c]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-b]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one);2-methyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 3466.13 g/mol, XLogP of 37.33, 12 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-5-(4-chlorophenyl)-5-hydroxypyrrolo[3,4-b]pyridin-7-one;2-tert-butyl-1-(4-chlorophenyl)-1-hydroxypyrrolo[3,4-c]pyridin-3-one;2-tert-butyl-1-(4-fluorophenyl)pyrazolo[4,3-b]pyridin-3-one;bis(6-tert-butyl-5-hydroxy-5-(4-methylphenyl)pyrrolo[3,4-b]pyridin-7-one);bis(2-tert-butyl-1-hydroxy-1-(4-methylphenyl)pyrrolo[3,4-c]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)pyrazolo[4,3-b]pyridin-3-one);bis(2-tert-butyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one);2-methyl-1-(4-methylphenyl)-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 159177146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).