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

C57H75F3N16O8S4 — CID 157294164

IUPAC4-(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
SMILESCCCS(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1.O=S(=O)(C1CC1)N1CCN(c2cccc3[nH]ncc23)CC1.O=S(=O)(C1CCCC1)N1CCN(c2cccc3[nH]ncc23)CC1.O=S(=O)(CC(F)(F)F)N1CCN(c2cccc3[nH]ncc23)CC1
InChIInChI=1S/C16H22N4O2S.C14H18N4O2S.C14H20N4O2S.C13H15F3N4O2S/c21-23(22,13-4-1-2-5-13)20-10-8-19(9-11-20)16-7-3-6-15-14(16)12-17-18-15;19-21(20,11-4-5-11)18-8-6-17(7-9-18)14-3-1-2-13-12(14)10-15-16-13;1-2-10-21(19,20)18-8-6-17(7-9-18)14-5-3-4-13-12(14)11-15-16-13;14-13(15,16)9-23(21,22)20-6-4-19(5-7-20)12-3-1-2-11-10(12)8-17-18-11/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,17,18);1-3,10-11H,4-9H2,(H,15,16);3-5,11H,2,6-10H2,1H3,(H,15,16);1-3,8H,4-7,9H2,(H,17,18)
InChIKeyBBDKNGVMGSYWOK-UHFFFAOYSA-N
MW1297.59 g/mol
LogP6.14
Rot. Bonds13

About 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

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 (PubChem CID 157294164) has the molecular formula C57H75F3N16O8S4 and a molecular weight of 1297.59 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID157294164
Molecular FormulaC57H75F3N16O8S4
Molecular Weight1297.59 g/mol
Exact Mass1296.48
IUPAC Name4-(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
SMILESCCCS(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1.O=S(=O)(C1CC1)N1CCN(c2cccc3[nH]ncc23)CC1.O=S(=O)(C1CCCC1)N1CCN(c2cccc3[nH]ncc23)CC1.O=S(=O)(CC(F)(F)F)N1CCN(c2cccc3[nH]ncc23)CC1
InChIInChI=1S/C16H22N4O2S.C14H18N4O2S.C14H20N4O2S.C13H15F3N4O2S/c21-23(22,13-4-1-2-5-13)20-10-8-19(9-11-20)16-7-3-6-15-14(16)12-17-18-15;19-21(20,11-4-5-11)18-8-6-17(7-9-18)14-3-1-2-13-12(14)10-15-16-13;1-2-10-21(19,20)18-8-6-17(7-9-18)14-5-3-4-13-12(14)11-15-16-13;14-13(15,16)9-23(21,22)20-6-4-19(5-7-20)12-3-1-2-11-10(12)8-17-18-11/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,17,18);1-3,10-11H,4-9H2,(H,15,16);3-5,11H,2,6-10H2,1H3,(H,15,16);1-3,8H,4-7,9H2,(H,17,18)
InChIKeyBBDKNGVMGSYWOK-UHFFFAOYSA-N
XLogP6.14
TPSA277.20 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001297.59
LogP ≤ 56.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

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-indole;4-(1H-indol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indol-4-yl)piperazine-1-sulfonamide;4-[4-(2,2,2-trifluoroethylsulfonyl)piperazin-1-yl]-1H-indole
CID 157683829
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
3-(1-cyclopropylsulfonylpiperidin-4-yl)-6-fluoro-1H-indole;6-fluoro-3-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]-1H-indole;6-fluoro-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole;6-fluoro-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-indole
CID 158226193
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
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
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
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
4-(1H-indazol-4-yl)-N,N-dimethylpiperazine-1-sulfonamide;4-(1H-indazol-4-yl)piperazine-1-sulfonamide;4-[4-(2-methoxyethylsulfonyl)piperazin-1-yl]-1H-indazole;4-(4-propan-2-ylsulfonylpiperazin-1-yl)-1H-indazole
CID 159242345
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCS(=O)(=O)N1CCN(c2cccc3[nH]ncc23)CC1.O=S(=O)(C1CC1)N1CCN(c2cccc3[nH]ncc23)CC1.O=S(=O)(C1CCCC1)N1CCN(c2cccc3[nH]ncc23)CC1.O=S(=O)(CC(F)(F)F)N1CCN(c2cccc3[nH]ncc23)CC1.
What is the InChIKey of 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?
The InChIKey is BBDKNGVMGSYWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S.C14H18N4O2S.C14H20N4O2S.C13H15F3N4O2S/c21-23(22,13-4-1-2-5-13)20-10-8-19(9-11-20)16-7-3-6-15-14(16)12-17-18-15;19-21(20,11-4-5-11)18-8-6-17(7-9-18)14-3-1-2-13-12(14)10-15-16-13;1-2-10-21(19,20)18-8-6-17(7-9-18)14-5-3-4-13-12(14)11-15-16-13;14-13(15,16)9-23(21,22)20-6-4-19(5-7-20)12-3-1-2-11-10(12)8-17-18-11/h3,6-7,12-13H,1-2,4-5,8-11H2,(H,17,18);1-3,10-11H,4-9H2,(H,15,16);3-5,11H,2,6-10H2,1H3,(H,15,16);1-3,8H,4-7,9H2,(H,17,18).
What are the key properties of 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?
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 has a molecular weight of 1297.59 g/mol, XLogP of 6.14, 13 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157294164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).