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
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-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
SMILESCC1(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
InChIInChI=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)
InChIKeyBIFZQIQBJRMZAG-UHFFFAOYSA-N
MW1119.31 g/mol
LogP14.49
Rot. Bonds9
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).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 157357350 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.