3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine

C93H72ClF11N16 — CID 157482676

About 3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine

3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine (PubChem CID 157482676) has the molecular formula C93H72ClF11N16 and a molecular weight of 1658.14 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine
• PubChem CID: 157482676
• Molecular Formula: C93H72ClF11N16
• Molecular Weight: 1658.14 g/mol
• Exact Mass: 1656.56
• IUPAC Name: 3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine
• SMILES: Clc1ccccc1-c1cc2c(c(Nc3n[nH]c4ccccc34)n1)CCCC2.FC(F)(F)c1ccccc1-c1cc2c(c(Nc3n[nH]c4ccccc34)n1)CCCC2.Fc1ccc2[nH]nc(Nc3cc(-c4ccccc4)cc(-c4ccccc4C(F)(F)F)n3)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)cc4c3CCCC4)c2c1
• InChI: InChI=1S/C25H16F4N4.C23H18F4N4.C23H19F3N4.C22H19ClN4/c26-17-10-11-21-19(14-17)24(33-32-21)31-23-13-16(15-6-2-1-3-7-15)12-22(30-23)18-8-4-5-9-20(18)25(27,28)29;24-14-9-10-19-17(12-14)22(31-30-19)29-21-15-6-2-1-5-13(15)11-20(28-21)16-7-3-4-8-18(16)23(25,26)27;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;23-18-11-5-3-9-16(18)20-13-14-7-1-2-8-15(14)21(24-20)25-22-17-10-4-6-12-19(17)26-27-22/h1-14H,(H2,30,31,32,33);3-4,7-12H,1-2,5-6H2,(H2,28,29,30,31);3-6,9-13H,1-2,7-8H2,(H2,27,28,29,30);3-6,9-13H,1-2,7-8H2,(H2,24,25,26,27)
• InChIKey: BWIMDLUXIDEFTR-UHFFFAOYSA-N
• XLogP: 25.77
• TPSA: 214.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1658.14
LogP ≤ 5	25.77
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine?

The IUPAC name of 3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine (CID 157482676) is 3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine.

What is the SMILES notation for 3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine?

The canonical SMILES for 3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine is Clc1ccccc1-c1cc2c(c(Nc3n[nH]c4ccccc34)n1)CCCC2.FC(F)(F)c1ccccc1-c1cc2c(c(Nc3n[nH]c4ccccc34)n1)CCCC2.Fc1ccc2[nH]nc(Nc3cc(-c4ccccc4)cc(-c4ccccc4C(F)(F)F)n3)c2c1.Fc1ccc2[nH]nc(Nc3nc(-c4ccccc4C(F)(F)F)cc4c3CCCC4)c2c1.

What is the InChIKey of 3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine?

The InChIKey is BWIMDLUXIDEFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F4N4.C23H18F4N4.C23H19F3N4.C22H19ClN4/c26-17-10-11-21-19(14-17)24(33-32-21)31-23-13-16(15-6-2-1-3-7-15)12-22(30-23)18-8-4-5-9-20(18)25(27,28)29;24-14-9-10-19-17(12-14)22(31-30-19)29-21-15-6-2-1-5-13(15)11-20(28-21)16-7-3-4-8-18(16)23(25,26)27;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;23-18-11-5-3-9-16(18)20-13-14-7-1-2-8-15(14)21(24-20)25-22-17-10-4-6-12-19(17)26-27-22/h1-14H,(H2,30,31,32,33);3-4,7-12H,1-2,5-6H2,(H2,28,29,30,31);3-6,9-13H,1-2,7-8H2,(H2,27,28,29,30);3-6,9-13H,1-2,7-8H2,(H2,24,25,26,27).

What are the key properties of 3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine?

3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine has a molecular weight of 1658.14 g/mol, XLogP of 25.77, 13 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;5-fluoro-N-[4-phenyl-6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-1H-indazol-3-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine is sourced from PubChem (CID 157482676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).