4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole

C77H96N18O10S5 — CID 159263788

IUPAC4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole
SMILESCC1CN(c2cccc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(c2cc(-c3ccccc3)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(-c3ccccc3)cc3[nH]ncc23)CC1.Cc1cc(C2CCN(S(C)(=O)=O)CC2)c2cn[nH]c2c1.Cc1cc(N2CCN(S(C)(=O)=O)CC2)c2cn[nH]c2c1
InChIInChI=1S/C19H21N3O2S.C18H20N4O2S.C14H19N3O2S.2C13H18N4O2S/c1-25(23,24)22-9-7-15(8-10-22)17-11-16(14-5-3-2-4-6-14)12-19-18(17)13-20-21-19;1-25(23,24)22-9-7-21(8-10-22)18-12-15(14-5-3-2-4-6-14)11-17-16(18)13-19-20-17;1-10-7-12(13-9-15-16-14(13)8-10)11-3-5-17(6-4-11)20(2,18)19;1-10-7-12-11(9-14-15-12)13(8-10)16-3-5-17(6-4-16)20(2,18)19;1-10-9-16(6-7-17(10)20(2,18)19)13-5-3-4-12-11(13)8-14-15-12/h2-6,11-13,15H,7-10H2,1H3,(H,20,21);2-6,11-13H,7-10H2,1H3,(H,19,20);7-9,11H,3-6H2,1-2H3,(H,15,16);7-9H,3-6H2,1-2H3,(H,14,15);3-5,8,10H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyKWVMYYPSUSHBAF-UHFFFAOYSA-N
MW1594.07 g/mol
LogP9.68
Rot. Bonds12

About 4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole

4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole (PubChem CID 159263788) has the molecular formula C77H96N18O10S5 and a molecular weight of 1594.07 g/mol. Its IUPAC name is 4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole.

Molecular Properties

Compound Name4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole
PubChem CID159263788
Molecular FormulaC77H96N18O10S5
Molecular Weight1594.07 g/mol
Exact Mass1592.62
IUPAC Name4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole
SMILESCC1CN(c2cccc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(c2cc(-c3ccccc3)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(-c3ccccc3)cc3[nH]ncc23)CC1.Cc1cc(C2CCN(S(C)(=O)=O)CC2)c2cn[nH]c2c1.Cc1cc(N2CCN(S(C)(=O)=O)CC2)c2cn[nH]c2c1
InChIInChI=1S/C19H21N3O2S.C18H20N4O2S.C14H19N3O2S.2C13H18N4O2S/c1-25(23,24)22-9-7-15(8-10-22)17-11-16(14-5-3-2-4-6-14)12-19-18(17)13-20-21-19;1-25(23,24)22-9-7-21(8-10-22)18-12-15(14-5-3-2-4-6-14)11-17-16(18)13-19-20-17;1-10-7-12(13-9-15-16-14(13)8-10)11-3-5-17(6-4-11)20(2,18)19;1-10-7-12-11(9-14-15-12)13(8-10)16-3-5-17(6-4-16)20(2,18)19;1-10-9-16(6-7-17(10)20(2,18)19)13-5-3-4-12-11(13)8-14-15-12/h2-6,11-13,15H,7-10H2,1H3,(H,20,21);2-6,11-13H,7-10H2,1H3,(H,19,20);7-9,11H,3-6H2,1-2H3,(H,15,16);7-9H,3-6H2,1-2H3,(H,14,15);3-5,8,10H,6-7,9H2,1-2H3,(H,14,15)
InChIKeyKWVMYYPSUSHBAF-UHFFFAOYSA-N
XLogP9.68
TPSA340.02 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001594.07
LogP ≤ 59.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze 4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole with MolForge

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Related Compounds

4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;4-(4-propylsulfonylpiperazin-1-yl)-1H-indazole;4-[4-(2,2,2-trifluoroethylsulfonyl)piperazin-1-yl]-1H-indazole
CID 157294164
4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2,2,2-trifluoroethylsulfonyl)piperazin-1-yl]-1H-indazole
CID 157316412
4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2,2,2-trifluoroethylsulfonyl)piperazin-1-yl]-1H-indazole
CID 158149759
6-chloro-4-[(3R,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 159044041
1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 160985795
4-[4-(benzenesulfonyl)piperazin-1-yl]-1H-indazole;4-(4-cyclopentylsulfonylpiperazin-1-yl)-1H-indazole;4-(4-propylsulfonylpiperazin-1-yl)-1H-indazole;4-[4-(2,2,2-trifluoroethylsulfonyl)piperazin-1-yl]-1H-indazole
CID 162152140
6-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;7-chloro-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;1-[4-(1H-indazol-5-yl)piperazin-1-yl]ethanone;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;5-(4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 157480713
4-[4-(benzenesulfonyl)piperazin-1-yl]-1H-indazole;4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yl)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole
CID 157732345
4-[4-(benzenesulfonyl)piperazin-1-yl]-1H-indazole;4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole
CID 158009125
6-(difluoromethyl)-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-pyrrolidin-1-yl-1H-indazole
CID 158199150
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole;1-[(1-benzylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indazole;1-[(1-cyclohexylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indazole;1-[(1-methylsulfonylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)indazole;1-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]-5-(1H-pyrazol-4-yl)indazole
CID 158261600
4-(4-benzylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole
CID 159060540

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole?
The IUPAC name of 4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole (CID 159263788) is 4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole.
What is the SMILES notation for 4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole?
The canonical SMILES for 4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole is CC1CN(c2cccc3[nH]ncc23)CCN1S(C)(=O)=O.CS(=O)(=O)N1CCC(c2cc(-c3ccccc3)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(-c3ccccc3)cc3[nH]ncc23)CC1.Cc1cc(C2CCN(S(C)(=O)=O)CC2)c2cn[nH]c2c1.Cc1cc(N2CCN(S(C)(=O)=O)CC2)c2cn[nH]c2c1.
What is the InChIKey of 4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole?
The InChIKey is KWVMYYPSUSHBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S.C18H20N4O2S.C14H19N3O2S.2C13H18N4O2S/c1-25(23,24)22-9-7-15(8-10-22)17-11-16(14-5-3-2-4-6-14)12-19-18(17)13-20-21-19;1-25(23,24)22-9-7-21(8-10-22)18-12-15(14-5-3-2-4-6-14)11-17-16(18)13-19-20-17;1-10-7-12(13-9-15-16-14(13)8-10)11-3-5-17(6-4-11)20(2,18)19;1-10-7-12-11(9-14-15-12)13(8-10)16-3-5-17(6-4-16)20(2,18)19;1-10-9-16(6-7-17(10)20(2,18)19)13-5-3-4-12-11(13)8-14-15-12/h2-6,11-13,15H,7-10H2,1H3,(H,20,21);2-6,11-13H,7-10H2,1H3,(H,19,20);7-9,11H,3-6H2,1-2H3,(H,15,16);7-9H,3-6H2,1-2H3,(H,14,15);3-5,8,10H,6-7,9H2,1-2H3,(H,14,15).
What are the key properties of 4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole?
4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole has a molecular weight of 1594.07 g/mol, XLogP of 9.68, 12 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-phenyl-1H-indazole is sourced from PubChem (CID 159263788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).