6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole

C53H69Cl2FN16O7S3 — CID 157348032

About 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole

6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole (PubChem CID 157348032) has the molecular formula C53H69Cl2FN16O7S3 and a molecular weight of 1228.34 g/mol. Its IUPAC name is 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole.

Molecular Properties

• Compound Name: 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole
• PubChem CID: 157348032
• Molecular Formula: C53H69Cl2FN16O7S3
• Molecular Weight: 1228.34 g/mol
• Exact Mass: 1226.41
• IUPAC Name: 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole
• SMILES: CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1
• InChI: InChI=1S/C15H19ClN4O.C14H19ClN4O2S.C12H15FN4O2S.C12H16N4O2S/c1-10(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;1-20(18,19)17-4-2-16(3-5-17)12-7-9(13)6-11-10(12)8-14-15-11;1-19(17,18)16-6-4-15(5-7-16)11-2-3-12-10(8-11)9-13-14-12/h6-8H,4-5,9H2,1-3H3,(H,17,18);6-8H,4-5,9H2,1-3H3,(H,16,17);6-8H,2-5H2,1H3,(H,14,15);2-3,8-9H,4-7H2,1H3,(H,13,14)
• InChIKey: BHEWXQNUUYRAJT-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 260.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1228.34
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole?

The IUPAC name of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole (CID 157348032) is 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole.

What is the SMILES notation for 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole?

The canonical SMILES for 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole is CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(Cl)cc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1.

What is the InChIKey of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole?

The InChIKey is BHEWXQNUUYRAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O.C14H19ClN4O2S.C12H15FN4O2S.C12H16N4O2S/c1-10(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;1-20(18,19)17-4-2-16(3-5-17)12-7-9(13)6-11-10(12)8-14-15-11;1-19(17,18)16-6-4-15(5-7-16)11-2-3-12-10(8-11)9-13-14-12/h6-8H,4-5,9H2,1-3H3,(H,17,18);6-8H,4-5,9H2,1-3H3,(H,16,17);6-8H,2-5H2,1H3,(H,14,15);2-3,8-9H,4-7H2,1H3,(H,13,14).

What are the key properties of 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole?

6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole has a molecular weight of 1228.34 g/mol, XLogP of 6.17, 7 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-fluoro-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 157348032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).