N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine

C106H76F8N20 — CID 158746811

About N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine

N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine (PubChem CID 158746811) has the molecular formula C106H76F8N20 and a molecular weight of 1781.90 g/mol. Its IUPAC name is N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine.

Molecular Properties

• Compound Name: N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine
• PubChem CID: 158746811
• Molecular Formula: C106H76F8N20
• Molecular Weight: 1781.90 g/mol
• Exact Mass: 1780.64
• IUPAC Name: N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine
• SMILES: Cc1cc(Nc2cc(-c3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3ccccc3)cc3ccccc23)n[nH]1.FC(F)(F)c1ccccc1-c1cc2ccccc2c(Nc2n[nH]c3ccccc23)n1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)cc4ccccc34)c2c1.c1ccc(-c2cc(Nc3n[nH]c4ccccc34)c3ccccc3n2)cc1
• InChI: InChI=1S/C23H13F5N4.C23H15F3N4.C22H16N4.2C19H16N4/c24-13-10-16-20(18(25)11-13)31-32-22(16)30-21-14-6-2-1-5-12(14)9-19(29-21)15-7-3-4-8-17(15)23(26,27)28;24-23(25,26)18-11-5-3-9-16(18)20-13-14-7-1-2-8-15(14)21(27-20)28-22-17-10-4-6-12-19(17)29-30-22;1-2-8-15(9-3-1)20-14-21(16-10-4-6-12-18(16)23-20)24-22-17-11-5-7-13-19(17)25-26-22;1-13-11-19(23-22-13)21-18-12-17(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)18;1-13-11-18(23-22-13)21-19-16-10-6-5-9-15(16)12-17(20-19)14-7-3-2-4-8-14/h1-11H,(H2,29,30,31,32);1-13H,(H2,27,28,29,30);1-14H,(H2,23,24,25,26);2*2-12H,1H3,(H2,20,21,22,23)
• InChIKey: IMZIYPOJEZZQJT-UHFFFAOYSA-N
• XLogP: 28.23
• TPSA: 268.00 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1781.90
LogP ≤ 5	28.23
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine?

The IUPAC name of N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine (CID 158746811) is N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine.

What is the SMILES notation for N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine?

The canonical SMILES for N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine is Cc1cc(Nc2cc(-c3ccccc3)nc3ccccc23)n[nH]1.Cc1cc(Nc2nc(-c3ccccc3)cc3ccccc23)n[nH]1.FC(F)(F)c1ccccc1-c1cc2ccccc2c(Nc2n[nH]c3ccccc23)n1.Fc1cc(F)c2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)cc4ccccc34)c2c1.c1ccc(-c2cc(Nc3n[nH]c4ccccc34)c3ccccc3n2)cc1.

What is the InChIKey of N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine?

The InChIKey is IMZIYPOJEZZQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F5N4.C23H15F3N4.C22H16N4.2C19H16N4/c24-13-10-16-20(18(25)11-13)31-32-22(16)30-21-14-6-2-1-5-12(14)9-19(29-21)15-7-3-4-8-17(15)23(26,27)28;24-23(25,26)18-11-5-3-9-16(18)20-13-14-7-1-2-8-15(14)21(27-20)28-22-17-10-4-6-12-19(17)29-30-22;1-2-8-15(9-3-1)20-14-21(16-10-4-6-12-18(16)23-20)24-22-17-11-5-7-13-19(17)25-26-22;1-13-11-19(23-22-13)21-18-12-17(14-7-3-2-4-8-14)20-16-10-6-5-9-15(16)18;1-13-11-18(23-22-13)21-19-16-10-6-5-9-15(16)12-17(20-19)14-7-3-2-4-8-14/h1-11H,(H2,29,30,31,32);1-13H,(H2,27,28,29,30);1-14H,(H2,23,24,25,26);2*2-12H,1H3,(H2,20,21,22,23).

What are the key properties of N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine?

N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine has a molecular weight of 1781.90 g/mol, XLogP of 28.23, 15 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5,7-difluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(1H-indazol-3-yl)-2-phenylquinolin-4-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]isoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-3-phenylisoquinolin-1-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinolin-4-amine is sourced from PubChem (CID 158746811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).