4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine

C66H58N18O — CID 157357350

About 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine

4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine (PubChem CID 157357350) has the molecular formula C66H58N18O and a molecular weight of 1119.31 g/mol. Its IUPAC name is 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine.

Molecular Properties

• Compound Name: 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine
• PubChem CID: 157357350
• Molecular Formula: C66H58N18O
• Molecular Weight: 1119.31 g/mol
• Exact Mass: 1118.50
• IUPAC Name: 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine
• SMILES: CC1(C)OC(C)(C)c2cn(-c3nccc4cc(Nc5n[nH]c6cccnc56)ccc34)cc21.Cc1cn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)c(C)n1.Cc1ncc(C2=CCC=C2)c2cc(Nc3n[nH]c4cccnc34)ccc12
• InChI: InChI=1S/C25H24N6O.C21H17N5.C20H17N7/c1-24(2)18-13-31(14-19(18)25(3,4)32-24)23-17-8-7-16(12-15(17)9-11-27-23)28-22-21-20(29-30-22)6-5-10-26-21;1-13-16-9-8-15(24-21-20-19(25-26-21)7-4-10-22-20)11-17(16)18(12-23-13)14-5-2-3-6-14;1-12-11-27(13(2)23-12)20-16-6-5-15(10-14(16)7-9-22-20)24-19-18-17(25-26-19)4-3-8-21-18/h5-14H,1-4H3,(H2,28,29,30);2,4-12H,3H2,1H3,(H2,24,25,26);3-11H,1-2H3,(H2,24,25,26)
• InChIKey: BIFZQIQBJRMZAG-UHFFFAOYSA-N
• XLogP: 14.49
• TPSA: 231.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1119.31
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine?

The IUPAC name of 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine (CID 157357350) is 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine.

What is the SMILES notation for 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine?

The canonical SMILES for 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine is CC1(C)OC(C)(C)c2cn(-c3nccc4cc(Nc5n[nH]c6cccnc56)ccc34)cc21.Cc1cn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)c(C)n1.Cc1ncc(C2=CCC=C2)c2cc(Nc3n[nH]c4cccnc34)ccc12.

What is the InChIKey of 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine?

The InChIKey is BIFZQIQBJRMZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O.C21H17N5.C20H17N7/c1-24(2)18-13-31(14-19(18)25(3,4)32-24)23-17-8-7-16(12-15(17)9-11-27-23)28-22-21-20(29-30-22)6-5-10-26-21;1-13-16-9-8-15(24-21-20-19(25-26-21)7-4-10-22-20)11-17(16)18(12-23-13)14-5-2-3-6-14;1-12-11-27(13(2)23-12)20-16-6-5-15(10-14(16)7-9-22-20)24-19-18-17(25-26-19)4-3-8-21-18/h5-14H,1-4H3,(H2,28,29,30);2,4-12H,3H2,1H3,(H2,24,25,26);3-11H,1-2H3,(H2,24,25,26).

What are the key properties of 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine?

4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine has a molecular weight of 1119.31 g/mol, XLogP of 14.49, 9 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopenta-1,4-dien-1-yl-1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(2,4-dimethylimidazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,3,3-tetramethylfuro[3,4-c]pyrrol-5-yl)isoquinolin-6-amine is sourced from PubChem (CID 157357350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).