3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine;3-methyl-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-pyrazol-1-ylisoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine

C92H67F9N30O2 — CID 158964480

About 3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine;3-methyl-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-pyrazol-1-ylisoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine

3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine;3-methyl-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-pyrazol-1-ylisoquinolin-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 158964480) has the molecular formula C92H67F9N30O2 and a molecular weight of 1795.74 g/mol. Its IUPAC name is 3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine;3-methyl-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-pyrazol-1-ylisoquinolin-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: 3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine;3-methyl-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-pyrazol-1-ylisoquinolin-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: 158964480
• Molecular Formula: C92H67F9N30O2
• Molecular Weight: 1795.74 g/mol
• Exact Mass: 1794.59
• IUPAC Name: 3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine;3-methyl-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-pyrazol-1-ylisoquinolin-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(c1nc(C)cc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F.C=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(C(C)C(F)(F)F)n1.O=[N+]([O-])c1cnn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)c1.c1cnc2c(Nc3ccc4c(-n5cccn5)nccc4c3)n[nH]c2c1
• InChI: InChI=1S/C19H16F3N5.C19H14F3N5.C18H12F3N5.C18H12N8O2.C18H13N7/c2*1-10-8-12-9-13(25-18-17-15(26-27-18)4-3-7-23-17)5-6-14(12)16(24-10)11(2)19(20,21)22;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;1-3-15-16(19-7-1)17(24-23-15)22-13-4-5-14-12(11-13)6-9-20-18(14)25-10-2-8-21-25/h3-9,11H,1-2H3,(H2,25,26,27);3-9H,2H2,1H3,(H2,25,26,27);2-9H,1H2,(H2,24,25,26);1-10H,(H2,22,23,24);1-11H,(H2,22,23,24)
• InChIKey: JNAGBZAQQZBREP-UHFFFAOYSA-N
• XLogP: 21.96
• TPSA: 411.23 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1795.74
LogP ≤ 5	21.96
H-Bond Donors ≤ 5	10
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 3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine;3-methyl-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-pyrazol-1-ylisoquinolin-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 3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine;3-methyl-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-pyrazol-1-ylisoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(3,3,3-trifluoroprop-1-en-2-yl)isoquinolin-6-amine (CID 158964480) is 3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine;3-methyl-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-pyrazol-1-ylisoquinolin-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 3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine;3-methyl-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-pyrazol-1-ylisoquinolin-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 3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine;3-methyl-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-pyrazol-1-ylisoquinolin-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(c1nc(C)cc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F.C=C(c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(C(C)C(F)(F)F)n1.O=[N+]([O-])c1cnn(-c2nccc3cc(Nc4n[nH]c5cccnc45)ccc23)c1.c1cnc2c(Nc3ccc4c(-n5cccn5)nccc4c3)n[nH]c2c1.

What is the InChIKey of 3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine;3-methyl-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-pyrazol-1-ylisoquinolin-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 JNAGBZAQQZBREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5.C19H14F3N5.C18H12F3N5.C18H12N8O2.C18H13N7/c2*1-10-8-12-9-13(25-18-17-15(26-27-18)4-3-7-23-17)5-6-14(12)16(24-10)11(2)19(20,21)22;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;1-3-15-16(19-7-1)17(24-23-15)22-13-4-5-14-12(11-13)6-9-20-18(14)25-10-2-8-21-25/h3-9,11H,1-2H3,(H2,25,26,27);3-9H,2H2,1H3,(H2,25,26,27);2-9H,1H2,(H2,24,25,26);1-10H,(H2,22,23,24);1-11H,(H2,22,23,24).

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

3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine;3-methyl-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-pyrazol-1-ylisoquinolin-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 1795.74 g/mol, XLogP of 21.96, 16 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine;3-methyl-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-pyrazol-1-ylisoquinolin-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 158964480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).