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-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole

C54H64BrCl3N16O4S2 — CID 161073537

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-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole

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-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole (PubChem CID 161073537) has the molecular formula C54H64BrCl3N16O4S2 and a molecular weight of 1251.61 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-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole.

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-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole
• PubChem CID: 161073537
• Molecular Formula: C54H64BrCl3N16O4S2
• Molecular Weight: 1251.61 g/mol
• Exact Mass: 1248.30
• 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-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole
• SMILES: CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1.CS(=O)(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.Clc1cc(N2CCN(c3ccccc3)CC2)c2cn[nH]c2c1
• InChI: InChI=1S/C17H17ClN4.C13H17ClN4O2S.C12H15BrN4O2S.C12H15ClN4/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;1-21(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;1-16-2-4-17(5-3-16)12-7-9(13)6-11-10(12)8-14-15-11/h1-5,10-12H,6-9H2,(H,19,20);6-8,10,17H,2-5H2,1H3,(H,15,16);6-8H,2-5H2,1H3,(H,14,15);6-8H,2-5H2,1H3,(H,14,15)
• InChIKey: UEYVKQVHUQRPLF-UHFFFAOYSA-N
• XLogP: 8.65
• TPSA: 217.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1251.61
LogP ≤ 5	8.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

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-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole?

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-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole (CID 161073537) 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-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole.

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-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole?

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-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole is CN1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1.CS(=O)(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.Clc1cc(N2CCN(c3ccccc3)CC2)c2cn[nH]c2c1.

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-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole?

The InChIKey is UEYVKQVHUQRPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4.C13H17ClN4O2S.C12H15BrN4O2S.C12H15ClN4/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;1-21(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;1-16-2-4-17(5-3-16)12-7-9(13)6-11-10(12)8-14-15-11/h1-5,10-12H,6-9H2,(H,19,20);6-8,10,17H,2-5H2,1H3,(H,15,16);6-8H,2-5H2,1H3,(H,14,15);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-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole?

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-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole has a molecular weight of 1251.61 g/mol, XLogP of 8.65, 8 rotatable bonds, 5 hydrogen bond donors, and 14 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-methylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 161073537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).