1-(4-nitropyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(triazol-1-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine

C77H59F3N28O3 — CID 159634407

About 1-(4-nitropyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(triazol-1-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine

1-(4-nitropyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(triazol-1-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine (PubChem CID 159634407) has the molecular formula C77H59F3N28O3 and a molecular weight of 1481.51 g/mol. Its IUPAC name is 1-(4-nitropyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(triazol-1-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine.

Molecular Properties

• Compound Name: 1-(4-nitropyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(triazol-1-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine
• PubChem CID: 159634407
• Molecular Formula: C77H59F3N28O3
• Molecular Weight: 1481.51 g/mol
• Exact Mass: 1480.53
• IUPAC Name: 1-(4-nitropyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(triazol-1-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine
• SMILES: C=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F.CC1(C)OC(C)(C)c2nn(-c3nccc4cc(Nc5n[nH]c6cccnc56)ccc34)cc21.O=[N+]([O-])c1cnn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)c1.c1cnc2c(Nc3ccc4c(-n5ccnn5)nccc4c3)n[nH]c2c1
• InChI: InChI=1S/C24H23N7O.C18H12F3N5.C18H12N8O2.C17H12N8/c1-23(2)17-13-31(30-20(17)24(3,4)32-23)22-16-8-7-15(12-14(16)9-11-26-22)27-21-19-18(28-29-21)6-5-10-25-19;1-10(18(19,20)21)15-13-5-4-12(9-11(13)6-8-23-15)24-17-16-14(25-26-17)3-2-7-22-16;27-26(28)13-9-21-25(10-13)18-14-4-3-12(8-11(14)5-7-20-18)22-17-16-15(23-24-17)2-1-6-19-16;1-2-14-15(18-6-1)16(23-22-14)21-12-3-4-13-11(10-12)5-7-19-17(13)25-9-8-20-24-25/h5-13H,1-4H3,(H2,27,28,29);2-9H,1H2,(H2,24,25,26);1-10H,(H2,22,23,24);1-10H,(H2,21,22,23)
• InChIKey: MPOAIOFUGMAKNX-UHFFFAOYSA-N
• XLogP: 15.94
• TPSA: 384.68 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 13
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1481.51
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitropyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(triazol-1-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine?

The IUPAC name of 1-(4-nitropyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(triazol-1-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine (CID 159634407) is 1-(4-nitropyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(triazol-1-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine.

What is the SMILES notation for 1-(4-nitropyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(triazol-1-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine?

The canonical SMILES for 1-(4-nitropyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(triazol-1-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine is C=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F.CC1(C)OC(C)(C)c2nn(-c3nccc4cc(Nc5n[nH]c6cccnc56)ccc34)cc21.O=[N+]([O-])c1cnn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)c1.c1cnc2c(Nc3ccc4c(-n5ccnn5)nccc4c3)n[nH]c2c1.

What is the InChIKey of 1-(4-nitropyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(triazol-1-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine?

The InChIKey is MPOAIOFUGMAKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O.C18H12F3N5.C18H12N8O2.C17H12N8/c1-23(2)17-13-31(30-20(17)24(3,4)32-23)22-16-8-7-15(12-14(16)9-11-26-22)27-21-19-18(28-29-21)6-5-10-25-19;1-10(18(19,20)21)15-13-5-4-12(9-11(13)6-8-23-15)24-17-16-14(25-26-17)3-2-7-22-16;27-26(28)13-9-21-25(10-13)18-14-4-3-12(8-11(14)5-7-20-18)22-17-16-15(23-24-17)2-1-6-19-16;1-2-14-15(18-6-1)16(23-22-14)21-12-3-4-13-11(10-12)5-7-19-17(13)25-9-8-20-24-25/h5-13H,1-4H3,(H2,27,28,29);2-9H,1H2,(H2,24,25,26);1-10H,(H2,22,23,24);1-10H,(H2,21,22,23).

What are the key properties of 1-(4-nitropyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(triazol-1-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine?

1-(4-nitropyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(triazol-1-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine has a molecular weight of 1481.51 g/mol, XLogP of 15.94, 13 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-nitropyrazol-1-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(4,4,6,6-tetramethylfuro[3,4-c]pyrazol-2-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(triazol-1-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine is sourced from PubChem (CID 159634407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).