N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline

C65H72Cl3F3N16O6S3 — CID 159651412

About N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline

N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline (PubChem CID 159651412) has the molecular formula C65H72Cl3F3N16O6S3 and a molecular weight of 1432.95 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline.

Molecular Properties

• Compound Name: N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
• PubChem CID: 159651412
• Molecular Formula: C65H72Cl3F3N16O6S3
• Molecular Weight: 1432.95 g/mol
• Exact Mass: 1430.40
• IUPAC Name: N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline
• SMILES: CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)C2CCCCC21.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)C2CCCCC21.CS(=O)(=O)Nc1ccc2c(c1)CCN(c1cc(Cl)cc3[nH]ncc13)C2.Clc1cc(N2CCc3cnccc3C2)c2cn[nH]c2c1
• InChI: InChI=1S/C17H17ClN4O2S.C17H21F3N4O2S.C16H21ClN4O2S.C15H13ClN4/c1-25(23,24)21-14-3-2-12-10-22(5-4-11(12)6-14)17-8-13(18)7-16-15(17)9-19-20-16;1-27(25,26)24-7-6-23(14-4-2-3-5-15(14)24)16-9-11(17(18,19)20)8-13-12(16)10-21-22-13;1-24(22,23)21-7-6-20(14-4-2-3-5-15(14)21)16-9-11(17)8-13-12(16)10-18-19-13;16-12-5-14-13(8-18-19-14)15(6-12)20-4-2-10-7-17-3-1-11(10)9-20/h2-3,6-9,21H,4-5,10H2,1H3,(H,19,20);8-10,14-15H,2-7H2,1H3,(H,21,22);8-10,14-15H,2-7H2,1H3,(H,18,19);1,3,5-8H,2,4,9H2,(H,18,19)
• InChIKey: MRPRBIZQNNYMSI-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 261.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1432.95
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?

The IUPAC name of N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline (CID 159651412) is N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline.

What is the SMILES notation for N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?

The canonical SMILES for N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline is CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)C2CCCCC21.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)C2CCCCC21.CS(=O)(=O)Nc1ccc2c(c1)CCN(c1cc(Cl)cc3[nH]ncc13)C2.Clc1cc(N2CCc3cnccc3C2)c2cn[nH]c2c1.

What is the InChIKey of N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?

The InChIKey is MRPRBIZQNNYMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S.C17H21F3N4O2S.C16H21ClN4O2S.C15H13ClN4/c1-25(23,24)21-14-3-2-12-10-22(5-4-11(12)6-14)17-8-13(18)7-16-15(17)9-19-20-16;1-27(25,26)24-7-6-23(14-4-2-3-5-15(14)24)16-9-11(17(18,19)20)8-13-12(16)10-21-22-13;1-24(22,23)21-7-6-20(14-4-2-3-5-15(14)21)16-9-11(17)8-13-12(16)10-18-19-13;16-12-5-14-13(8-18-19-14)15(6-12)20-4-2-10-7-17-3-1-11(10)9-20/h2-3,6-9,21H,4-5,10H2,1H3,(H,19,20);8-10,14-15H,2-7H2,1H3,(H,21,22);8-10,14-15H,2-7H2,1H3,(H,18,19);1,3,5-8H,2,4,9H2,(H,18,19).

What are the key properties of N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline?

N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline has a molecular weight of 1432.95 g/mol, XLogP of 11.91, 8 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]methanesulfonamide;2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,6-naphthyridine;1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline;1-methylsulfonyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]-2,3,4a,5,6,7,8,8a-octahydroquinoxaline is sourced from PubChem (CID 159651412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).