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;7-(6-chloro-1H-indazol-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(6-chloro-1H-indazol-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole

C72H84Br2Cl3N21O6S2 — CID 158174390

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;7-(6-chloro-1H-indazol-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(6-chloro-1H-indazol-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;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;7-(6-chloro-1H-indazol-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(6-chloro-1H-indazol-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole (PubChem CID 158174390) has the molecular formula C72H84Br2Cl3N21O6S2 and a molecular weight of 1669.91 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;7-(6-chloro-1H-indazol-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(6-chloro-1H-indazol-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;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;7-(6-chloro-1H-indazol-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(6-chloro-1H-indazol-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole
• PubChem CID: 158174390
• Molecular Formula: C72H84Br2Cl3N21O6S2
• Molecular Weight: 1669.91 g/mol
• Exact Mass: 1665.38
• 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;7-(6-chloro-1H-indazol-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(6-chloro-1H-indazol-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole
• SMILES: CC(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(Br)cc3[nH]ncc23)CCN1S(C)(=O)=O.Clc1cc(N2CCN(c3ccccc3)CC2)c2cn[nH]c2c1.O=C1NCC2CN(c3cc(Cl)cc4[nH]ncc34)CCN12.O=S1(=O)CCC2CN(c3cc(Cl)cc4[nH]ncc34)CCN21
• InChI: InChI=1S/C17H17ClN4.C15H19BrN4O.C14H19BrN4O2S.C13H14ClN5O.C13H15ClN4O2S/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;1-14(2)9-18(4-5-19(14)22(3,20)21)13-7-10(15)6-12-11(13)8-16-17-12;14-8-3-11-10(6-16-17-11)12(4-8)18-1-2-19-9(7-18)5-15-13(19)20;14-9-5-12-11(7-15-16-12)13(6-9)17-2-3-18-10(8-17)1-4-21(18,19)20/h1-5,10-12H,6-9H2,(H,19,20);6-8H,4-5,9H2,1-3H3,(H,17,18);6-8H,4-5,9H2,1-3H3,(H,16,17);3-4,6,9H,1-2,5,7H2,(H,15,20)(H,16,17);5-7,10H,1-4,8H2,(H,15,16)
• InChIKey: FXVGZCICQCPQMP-UHFFFAOYSA-N
• XLogP: 11.37
• TPSA: 290.25 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1669.91
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	6
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;7-(6-chloro-1H-indazol-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(6-chloro-1H-indazol-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;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;7-(6-chloro-1H-indazol-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(6-chloro-1H-indazol-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole (CID 158174390) 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;7-(6-chloro-1H-indazol-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(6-chloro-1H-indazol-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;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;7-(6-chloro-1H-indazol-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(6-chloro-1H-indazol-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;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;7-(6-chloro-1H-indazol-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(6-chloro-1H-indazol-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole is CC(=O)N1CCN(c2cc(Br)cc3[nH]ncc23)CC1(C)C.CC1(C)CN(c2cc(Br)cc3[nH]ncc23)CCN1S(C)(=O)=O.Clc1cc(N2CCN(c3ccccc3)CC2)c2cn[nH]c2c1.O=C1NCC2CN(c3cc(Cl)cc4[nH]ncc34)CCN12.O=S1(=O)CCC2CN(c3cc(Cl)cc4[nH]ncc34)CCN21.

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;7-(6-chloro-1H-indazol-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(6-chloro-1H-indazol-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole?

The InChIKey is FXVGZCICQCPQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4.C15H19BrN4O.C14H19BrN4O2S.C13H14ClN5O.C13H15ClN4O2S/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;1-14(2)9-18(4-5-19(14)22(3,20)21)13-7-10(15)6-12-11(13)8-16-17-12;14-8-3-11-10(6-16-17-11)12(4-8)18-1-2-19-9(7-18)5-15-13(19)20;14-9-5-12-11(7-15-16-12)13(6-9)17-2-3-18-10(8-17)1-4-21(18,19)20/h1-5,10-12H,6-9H2,(H,19,20);6-8H,4-5,9H2,1-3H3,(H,17,18);6-8H,4-5,9H2,1-3H3,(H,16,17);3-4,6,9H,1-2,5,7H2,(H,15,20)(H,16,17);5-7,10H,1-4,8H2,(H,15,16).

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;7-(6-chloro-1H-indazol-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(6-chloro-1H-indazol-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;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;7-(6-chloro-1H-indazol-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(6-chloro-1H-indazol-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole has a molecular weight of 1669.91 g/mol, XLogP of 11.37, 7 rotatable bonds, 6 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;7-(6-chloro-1H-indazol-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;5-(6-chloro-1H-indazol-4-yl)-2,3,3a,4,6,7-hexahydro-[1,2]thiazolo[2,3-a]pyrazine 1,1-dioxide;6-chloro-4-(4-phenylpiperazin-1-yl)-1H-indazole is sourced from PubChem (CID 158174390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).