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

C93H75F3N26 — CID 159554130

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

1-ethenyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(6-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-methyl-1-prop-2-enyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine (PubChem CID 159554130) has the molecular formula C93H75F3N26 and a molecular weight of 1613.80 g/mol. Its IUPAC name is 1-ethenyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(6-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-methyl-1-prop-2-enyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine.

Molecular Properties

• Compound Name: 1-ethenyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(6-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-methyl-1-prop-2-enyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine
• PubChem CID: 159554130
• Molecular Formula: C93H75F3N26
• Molecular Weight: 1613.80 g/mol
• Exact Mass: 1612.66
• IUPAC Name: 1-ethenyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(6-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-methyl-1-prop-2-enyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine
• SMILES: C#Cc1ccc2cc(Nc3n[nH]c4cccnc34)ccc2c1.C=CCc1nc(C)cc2cc(Nc3n[nH]c4cccnc34)ccc12.C=Cc1nc(C)cc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(-n2cccn2)n1.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(C(C)C(F)(F)F)n1
• InChI: InChI=1S/C19H16F3N5.C19H15N7.C19H17N5.C18H15N5.C18H12N4/c1-10-8-12-9-13(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;1-12-10-13-11-14(23-18-17-16(24-25-18)4-2-7-20-17)5-6-15(13)19(22-12)26-9-3-8-21-26;1-3-5-16-15-8-7-14(11-13(15)10-12(2)21-16)22-19-18-17(23-24-19)6-4-9-20-18;1-3-15-14-7-6-13(10-12(14)9-11(2)20-15)21-18-17-16(22-23-18)5-4-8-19-17;1-2-12-5-6-14-11-15(8-7-13(14)10-12)20-18-17-16(21-22-18)4-3-9-19-17/h3-9,11H,1-2H3,(H2,25,26,27);2-11H,1H3,(H2,23,24,25);3-4,6-11H,1,5H2,2H3,(H2,22,23,24);3-10H,1H2,2H3,(H2,21,22,23);1,3-11H,(H2,20,21,22)
• InChIKey: MFTUJWYVVPHTSI-UHFFFAOYSA-N
• XLogP: 21.29
• TPSA: 337.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1613.80
LogP ≤ 5	21.29
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(6-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-methyl-1-prop-2-enyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine?

The IUPAC name of 1-ethenyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(6-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-methyl-1-prop-2-enyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine (CID 159554130) is 1-ethenyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(6-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-methyl-1-prop-2-enyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine.

What is the SMILES notation for 1-ethenyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(6-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-methyl-1-prop-2-enyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine?

The canonical SMILES for 1-ethenyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(6-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-methyl-1-prop-2-enyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine is C#Cc1ccc2cc(Nc3n[nH]c4cccnc34)ccc2c1.C=CCc1nc(C)cc2cc(Nc3n[nH]c4cccnc34)ccc12.C=Cc1nc(C)cc2cc(Nc3n[nH]c4cccnc34)ccc12.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(-n2cccn2)n1.Cc1cc2cc(Nc3n[nH]c4cccnc34)ccc2c(C(C)C(F)(F)F)n1.

What is the InChIKey of 1-ethenyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(6-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-methyl-1-prop-2-enyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine?

The InChIKey is MFTUJWYVVPHTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5.C19H15N7.C19H17N5.C18H15N5.C18H12N4/c1-10-8-12-9-13(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;1-12-10-13-11-14(23-18-17-16(24-25-18)4-2-7-20-17)5-6-15(13)19(22-12)26-9-3-8-21-26;1-3-5-16-15-8-7-14(11-13(15)10-12(2)21-16)22-19-18-17(23-24-19)6-4-9-20-18;1-3-15-14-7-6-13(10-12(14)9-11(2)20-15)21-18-17-16(22-23-18)5-4-8-19-17;1-2-12-5-6-14-11-15(8-7-13(14)10-12)20-18-17-16(21-22-18)4-3-9-19-17/h3-9,11H,1-2H3,(H2,25,26,27);2-11H,1H3,(H2,23,24,25);3-4,6-11H,1,5H2,2H3,(H2,22,23,24);3-10H,1H2,2H3,(H2,21,22,23);1,3-11H,(H2,20,21,22).

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

1-ethenyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(6-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-methyl-1-prop-2-enyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine has a molecular weight of 1613.80 g/mol, XLogP of 21.29, 15 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethenyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(6-ethynylnaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;3-methyl-1-prop-2-enyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine;3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-(1,1,1-trifluoropropan-2-yl)isoquinolin-6-amine is sourced from PubChem (CID 159554130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).