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

C64H78N14O8S4 — CID 159438986

IUPAC6-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
SMILESCS(=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.C13H18N4O2S/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/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)
InChIKeyLRXWIDQFHOZMRT-UHFFFAOYSA-N
MW1299.69 g/mol
LogP8.64
Rot. Bonds10

About 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

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 159438986) has the molecular formula C64H78N14O8S4 and a molecular weight of 1299.69 g/mol. Its IUPAC name is 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 Name6-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 CID159438986
Molecular FormulaC64H78N14O8S4
Molecular Weight1299.69 g/mol
Exact Mass1298.50
IUPAC Name6-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
SMILESCS(=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.C13H18N4O2S/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/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)
InChIKeyLRXWIDQFHOZMRT-UHFFFAOYSA-N
XLogP8.64
TPSA270.72 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001299.69
LogP ≤ 58.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 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;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 160327583
1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 161369980
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
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
2-[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-N,N-dimethylacetamide;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-propan-2-yl-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone
CID 157766038
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
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-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole
CID 158454006

Frequently Asked Questions

What is the IUPAC name of 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 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 159438986) is 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 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 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 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 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 LRXWIDQFHOZMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S.C18H20N4O2S.C14H19N3O2S.C13H18N4O2S/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/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).
What are the key properties of 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?
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 1299.69 g/mol, XLogP of 8.64, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 159438986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).