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-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole

C75H89Br2Cl3N20O6S2 — CID 159119891

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-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-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-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole (PubChem CID 159119891) has the molecular formula C75H89Br2Cl3N20O6S2 and a molecular weight of 1696.97 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-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-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-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole
• PubChem CID: 159119891
• Molecular Formula: C75H89Br2Cl3N20O6S2
• Molecular Weight: 1696.97 g/mol
• Exact Mass: 1692.41
• 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-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole
• SMILES: CC(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1(C)C.CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC12CC2.CC1(C)CN(c2cc(Br)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC12CC2.Clc1cc(N2CCN(c3ccccc3)CC2)c2cn[nH]c2c1
• InChI: InChI=1S/C17H17ClN4.C15H19BrN4O.C15H17ClN4O.C14H19BrN4O2S.C14H17ClN4O2S/c18-13-10-16-15(12-19-20-16)17(11-13)22-8-6-21(7-9-22)14-4-2-1-3-5-14;1-10(21)20-5-4-19(9-15(20,2)3)14-7-11(16)6-13-12(14)8-17-18-13;1-10(21)20-5-4-19(9-15(20)2-3-15)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;1-22(20,21)19-5-4-18(9-14(19)2-3-14)13-7-10(15)6-12-11(13)8-16-17-12/h1-5,10-12H,6-9H2,(H,19,20);6-8H,4-5,9H2,1-3H3,(H,17,18);6-8H,2-5,9H2,1H3,(H,17,18);6-8H,4-5,9H2,1-3H3,(H,16,17);6-8H,2-5,9H2,1H3,(H,16,17)
• InChIKey: KFODKAXZJFMYBO-UHFFFAOYSA-N
• XLogP: 12.75
• TPSA: 278.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1696.97
LogP ≤ 5	12.75
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

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-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-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-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole (CID 159119891) 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-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-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-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-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-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole is CC(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1(C)C.CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC12CC2.CC1(C)CN(c2cc(Br)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC12CC2.Clc1cc(N2CCN(c3ccccc3)CC2)c2cn[nH]c2c1.

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-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole?

The InChIKey is KFODKAXZJFMYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4.C15H19BrN4O.C15H17ClN4O.C14H19BrN4O2S.C14H17ClN4O2S/c18-13-10-16-15(12-19-20-16)17(11-13)22-8-6-21(7-9-22)14-4-2-1-3-5-14;1-10(21)20-5-4-19(9-15(20,2)3)14-7-11(16)6-13-12(14)8-17-18-13;1-10(21)20-5-4-19(9-15(20)2-3-15)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;1-22(20,21)19-5-4-18(9-14(19)2-3-14)13-7-10(15)6-12-11(13)8-16-17-12/h1-5,10-12H,6-9H2,(H,19,20);6-8H,4-5,9H2,1-3H3,(H,17,18);6-8H,2-5,9H2,1H3,(H,17,18);6-8H,4-5,9H2,1-3H3,(H,16,17);6-8H,2-5,9H2,1H3,(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-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-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-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole has a molecular weight of 1696.97 g/mol, XLogP of 12.75, 8 rotatable bonds, 5 hydrogen bond donors, and 17 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-[7-(6-chloro-1H-indazol-4-yl)-4,7-diazaspiro[2.5]octan-4-yl]ethanone;6-chloro-4-(4-methylsulfonyl-4,7-diazaspiro[2.5]octan-7-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 159119891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).