6-chloro-4-(2-chloro-4-methylsulfonylphenyl)-1H-indazole;bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole

C77H93Cl4F2N17O10S5 — CID 158012014

About 6-chloro-4-(2-chloro-4-methylsulfonylphenyl)-1H-indazole;bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole

6-chloro-4-(2-chloro-4-methylsulfonylphenyl)-1H-indazole;bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole (PubChem CID 158012014) has the molecular formula C77H93Cl4F2N17O10S5 and a molecular weight of 1756.84 g/mol. Its IUPAC name is 6-chloro-4-(2-chloro-4-methylsulfonylphenyl)-1H-indazole;bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole.

Molecular Properties

• Compound Name: 6-chloro-4-(2-chloro-4-methylsulfonylphenyl)-1H-indazole;bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole
• PubChem CID: 158012014
• Molecular Formula: C77H93Cl4F2N17O10S5
• Molecular Weight: 1756.84 g/mol
• Exact Mass: 1753.46
• IUPAC Name: 6-chloro-4-(2-chloro-4-methylsulfonylphenyl)-1H-indazole;bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole
• SMILES: CS(=O)(=O)N1CCC(c2cc(C(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(N3CCCC3)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)C2CCCCC21.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)C2CCCCC21.CS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)c(Cl)c1
• InChI: InChI=1S/C17H24N4O2S.2C16H21ClN4O2S.C14H10Cl2N2O2S.C14H17F2N3O2S/c1-24(22,23)21-8-4-13(5-9-21)15-10-14(20-6-2-3-7-20)11-17-16(15)12-18-19-17;2*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;1-21(19,20)9-2-3-10(13(16)6-9)11-4-8(15)5-14-12(11)7-17-18-14;1-22(20,21)19-4-2-9(3-5-19)11-6-10(14(15)16)7-13-12(11)8-17-18-13/h10-13H,2-9H2,1H3,(H,18,19);2*8-10,14-15H,2-7H2,1H3,(H,18,19);2-7H,1H3,(H,17,18);6-9,14H,2-5H2,1H3,(H,17,18)
• InChIKey: FEZUEWYJEXUFIA-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 336.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1756.84
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-chloro-4-methylsulfonylphenyl)-1H-indazole;bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?

The IUPAC name of 6-chloro-4-(2-chloro-4-methylsulfonylphenyl)-1H-indazole;bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole (CID 158012014) is 6-chloro-4-(2-chloro-4-methylsulfonylphenyl)-1H-indazole;bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole.

What is the SMILES notation for 6-chloro-4-(2-chloro-4-methylsulfonylphenyl)-1H-indazole;bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?

The canonical SMILES for 6-chloro-4-(2-chloro-4-methylsulfonylphenyl)-1H-indazole;bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole is CS(=O)(=O)N1CCC(c2cc(C(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(N3CCCC3)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)C2CCCCC21.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)C2CCCCC21.CS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)c(Cl)c1.

What is the InChIKey of 6-chloro-4-(2-chloro-4-methylsulfonylphenyl)-1H-indazole;bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?

The InChIKey is FEZUEWYJEXUFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S.2C16H21ClN4O2S.C14H10Cl2N2O2S.C14H17F2N3O2S/c1-24(22,23)21-8-4-13(5-9-21)15-10-14(20-6-2-3-7-20)11-17-16(15)12-18-19-17;2*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;1-21(19,20)9-2-3-10(13(16)6-9)11-4-8(15)5-14-12(11)7-17-18-14;1-22(20,21)19-4-2-9(3-5-19)11-6-10(14(15)16)7-13-12(11)8-17-18-13/h10-13H,2-9H2,1H3,(H,18,19);2*8-10,14-15H,2-7H2,1H3,(H,18,19);2-7H,1H3,(H,17,18);6-9,14H,2-5H2,1H3,(H,17,18).

What are the key properties of 6-chloro-4-(2-chloro-4-methylsulfonylphenyl)-1H-indazole;bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole?

6-chloro-4-(2-chloro-4-methylsulfonylphenyl)-1H-indazole;bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole has a molecular weight of 1756.84 g/mol, XLogP of 14.10, 12 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-(2-chloro-4-methylsulfonylphenyl)-1H-indazole;bis(1-(6-chloro-1H-indazol-4-yl)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydroquinoxaline);6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole is sourced from PubChem (CID 158012014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).