6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone

C69H84BrCl2F6N17O9S4 — CID 158842859

About 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone

6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone (PubChem CID 158842859) has the molecular formula C69H84BrCl2F6N17O9S4 and a molecular weight of 1688.61 g/mol. Its IUPAC name is 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
• PubChem CID: 158842859
• Molecular Formula: C69H84BrCl2F6N17O9S4
• Molecular Weight: 1688.61 g/mol
• Exact Mass: 1685.40
• IUPAC Name: 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1.CS(=O)(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
• InChI: InChI=1S/C15H20ClN3O2S.C15H16F3N3O.C14H16F3N3O2S.C13H17ClN4O2S.C12H15BrN4O2S/c1-22(20,21)7-4-11-2-5-19(6-3-11)15-9-12(16)8-14-13(15)10-17-18-14;1-9(22)21-4-2-10(3-5-21)12-6-11(15(16,17)18)7-14-13(12)8-19-20-14;1-23(21,22)20-4-2-9(3-5-20)11-6-10(14(15,16)17)7-13-12(11)8-18-19-13;1-21(19,20)17-10-2-4-18(5-3-10)13-7-9(14)6-12-11(13)8-15-16-12;1-20(18,19)17-4-2-16(3-5-17)12-7-9(13)6-11-10(12)8-14-15-11/h8-11H,2-7H2,1H3,(H,17,18);6-8,10H,2-5H2,1H3,(H,19,20);6-9H,2-5H2,1H3,(H,18,19);6-8,10,17H,2-5H2,1H3,(H,15,16);6-8H,2-5H2,1H3,(H,14,15)
• InChIKey: IYLRIOPZZBLHJL-UHFFFAOYSA-N
• XLogP: 12.04
• TPSA: 328.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1688.61
LogP ≤ 5	12.04
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone?

The IUPAC name of 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone (CID 158842859) is 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)CCC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1.CS(=O)(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.

What is the InChIKey of 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone?

The InChIKey is IYLRIOPZZBLHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S.C15H16F3N3O.C14H16F3N3O2S.C13H17ClN4O2S.C12H15BrN4O2S/c1-22(20,21)7-4-11-2-5-19(6-3-11)15-9-12(16)8-14-13(15)10-17-18-14;1-9(22)21-4-2-10(3-5-21)12-6-11(15(16,17)18)7-14-13(12)8-19-20-14;1-23(21,22)20-4-2-9(3-5-20)11-6-10(14(15,16)17)7-13-12(11)8-18-19-13;1-21(19,20)17-10-2-4-18(5-3-10)13-7-9(14)6-12-11(13)8-15-16-12;1-20(18,19)17-4-2-16(3-5-17)12-7-9(13)6-11-10(12)8-14-15-11/h8-11H,2-7H2,1H3,(H,17,18);6-8,10H,2-5H2,1H3,(H,19,20);6-9H,2-5H2,1H3,(H,18,19);6-8,10,17H,2-5H2,1H3,(H,15,16);6-8H,2-5H2,1H3,(H,14,15).

What are the key properties of 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone?

6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone has a molecular weight of 1688.61 g/mol, XLogP of 12.04, 12 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]methanesulfonamide;6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 158842859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).