1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone

C57H69BrClF6N17O5S — CID 159165634

About 1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone

1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone (PubChem CID 159165634) has the molecular formula C57H69BrClF6N17O5S and a molecular weight of 1333.70 g/mol. Its IUPAC name is 1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
• PubChem CID: 159165634
• Molecular Formula: C57H69BrClF6N17O5S
• Molecular Weight: 1333.70 g/mol
• Exact Mass: 1331.42
• IUPAC Name: 1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(C(F)(F)F)cc3[nH]ncc23)CCN1S(C)(=O)=O.CNC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1
• InChI: InChI=1S/C16H19F3N4O.C15H19F3N4O2S.C13H15BrN4O.C13H16ClN5O/c1-10(24)23-5-4-22(9-15(23,2)3)14-7-11(16(17,18)19)6-13-12(14)8-20-21-13;1-14(2)9-21(4-5-22(14)25(3,23)24)13-7-10(15(16,17)18)6-12-11(13)8-19-20-12;1-9(19)17-2-4-18(5-3-17)13-7-10(14)6-12-11(13)8-15-16-12;1-15-13(20)19-4-2-18(3-5-19)12-7-9(14)6-11-10(12)8-16-17-11/h6-8H,4-5,9H2,1-3H3,(H,20,21);6-8H,4-5,9H2,1-3H3,(H,19,20);6-8H,2-5H2,1H3,(H,15,16);6-8H,2-5H2,1H3,(H,15,20)(H,16,17)
• InChIKey: KLALKUDQSDLRCH-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 238.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1333.70
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone (CID 159165634) is 1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(C(F)(F)F)cc3[nH]ncc23)CCN1S(C)(=O)=O.CNC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.

What is the InChIKey of 1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone?

The InChIKey is KLALKUDQSDLRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O.C15H19F3N4O2S.C13H15BrN4O.C13H16ClN5O/c1-10(24)23-5-4-22(9-15(23,2)3)14-7-11(16(17,18)19)6-13-12(14)8-20-21-13;1-14(2)9-21(4-5-22(14)25(3,23)24)13-7-10(15(16,17)18)6-12-11(13)8-19-20-12;1-9(19)17-2-4-18(5-3-17)13-7-10(14)6-12-11(13)8-15-16-12;1-15-13(20)19-4-2-18(3-5-19)12-7-9(14)6-11-10(12)8-16-17-11/h6-8H,4-5,9H2,1-3H3,(H,20,21);6-8H,4-5,9H2,1-3H3,(H,19,20);6-8H,2-5H2,1H3,(H,15,16);6-8H,2-5H2,1H3,(H,15,20)(H,16,17).

What are the key properties of 1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone?

1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone has a molecular weight of 1333.70 g/mol, XLogP of 9.14, 5 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-bromo-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(6-chloro-1H-indazol-4-yl)-N-methylpiperazine-1-carboxamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 159165634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).