6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole

C62H80Br2N14O6S2 — CID 158454006

About 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole

6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole (PubChem CID 158454006) has the molecular formula C62H80Br2N14O6S2 and a molecular weight of 1341.36 g/mol. Its IUPAC name is 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole.

Molecular Properties

• Compound Name: 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole
• PubChem CID: 158454006
• Molecular Formula: C62H80Br2N14O6S2
• Molecular Weight: 1341.36 g/mol
• Exact Mass: 1338.42
• IUPAC Name: 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole
• SMILES: CC(=O)N1CCC(c2cc(C3CC3)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(Br)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(c2cc(C3CC3)cc3[nH]ncc23)CC1
• InChI: InChI=1S/C17H21N3O.C16H21N3O2S.C15H19BrN4O.C14H19BrN4O2S/c1-11(21)20-6-4-13(5-7-20)15-8-14(12-2-3-12)9-17-16(15)10-18-19-17;1-22(20,21)19-6-4-12(5-7-19)14-8-13(11-2-3-11)9-16-15(14)10-17-18-16;1-10(21)20-5-4-19(9-15(20,2)3)14-7-11(16)6-13-12(14)8-17-18-13;1-14(2)9-18(4-5-19(14)22(3,20)21)13-7-10(15)6-12-11(13)8-16-17-12/h8-10,12-13H,2-7H2,1H3,(H,18,19);8-12H,2-7H2,1H3,(H,17,18);6-8H,4-5,9H2,1-3H3,(H,17,18);6-8H,4-5,9H2,1-3H3,(H,16,17)
• InChIKey: HEIQCGRPQHGITP-UHFFFAOYSA-N
• XLogP: 10.70
• TPSA: 236.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1341.36
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole?

The IUPAC name of 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole (CID 158454006) is 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole.

What is the SMILES notation for 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole?

The canonical SMILES for 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole is CC(=O)N1CCC(c2cc(C3CC3)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(Br)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(c2cc(C3CC3)cc3[nH]ncc23)CC1.

What is the InChIKey of 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole?

The InChIKey is HEIQCGRPQHGITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O.C16H21N3O2S.C15H19BrN4O.C14H19BrN4O2S/c1-11(21)20-6-4-13(5-7-20)15-8-14(12-2-3-12)9-17-16(15)10-18-19-17;1-22(20,21)19-6-4-12(5-7-19)14-8-13(11-2-3-11)9-16-15(14)10-17-18-16;1-10(21)20-5-4-19(9-15(20,2)3)14-7-11(16)6-13-12(14)8-17-18-13;1-14(2)9-18(4-5-19(14)22(3,20)21)13-7-10(15)6-12-11(13)8-16-17-12/h8-10,12-13H,2-7H2,1H3,(H,18,19);8-12H,2-7H2,1H3,(H,17,18);6-8H,4-5,9H2,1-3H3,(H,17,18);6-8H,4-5,9H2,1-3H3,(H,16,17).

What are the key properties of 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole?

6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole has a molecular weight of 1341.36 g/mol, XLogP of 10.70, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-bromo-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole is sourced from PubChem (CID 158454006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).