N-benzyl-1H-indazol-4-amine;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

C78H91N17O8S4 — CID 162187072

IUPACN-benzyl-1H-indazol-4-amine;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
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.c1ccc(CNc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C19H21N3O2S.C18H20N4O2S.C14H19N3O2S.C14H13N3.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;1-2-5-11(6-3-1)9-15-13-7-4-8-14-12(13)10-16-17-14;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);1-8,10,15H,9H2,(H,16,17);7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyZPUHFJXVVGGGIC-UHFFFAOYSA-N
MW1522.96 g/mol
LogP11.82
Rot. Bonds13

About N-benzyl-1H-indazol-4-amine;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

N-benzyl-1H-indazol-4-amine;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 162187072) has the molecular formula C78H91N17O8S4 and a molecular weight of 1522.96 g/mol. Its IUPAC name is N-benzyl-1H-indazol-4-amine;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 NameN-benzyl-1H-indazol-4-amine;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 CID162187072
Molecular FormulaC78H91N17O8S4
Molecular Weight1522.96 g/mol
Exact Mass1521.61
IUPAC NameN-benzyl-1H-indazol-4-amine;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
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.c1ccc(CNc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C19H21N3O2S.C18H20N4O2S.C14H19N3O2S.C14H13N3.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;1-2-5-11(6-3-1)9-15-13-7-4-8-14-12(13)10-16-17-14;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);1-8,10,15H,9H2,(H,16,17);7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyZPUHFJXVVGGGIC-UHFFFAOYSA-N
XLogP11.82
TPSA311.43 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001522.96
LogP ≤ 511.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze N-benzyl-1H-indazol-4-amine;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
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
1-[2,6-di(propan-2-yl)phenyl]-3-(1H-indazol-5-ylmethylsulfonyl)urea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1H-indazol-5-ylmethylsulfonyl)urea;bis(1-(1H-indazol-5-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea);1-(1H-indazol-6-ylmethylsulfonyl)-3-[4-methyl-2,6-di(propan-2-yl)phenyl]urea
CID 157159664
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1H-indazol-4-amine;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 N-benzyl-1H-indazol-4-amine;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 162187072) is N-benzyl-1H-indazol-4-amine;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 N-benzyl-1H-indazol-4-amine;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 N-benzyl-1H-indazol-4-amine;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.c1ccc(CNc2cccc3[nH]ncc23)cc1.
What is the InChIKey of N-benzyl-1H-indazol-4-amine;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 ZPUHFJXVVGGGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S.C18H20N4O2S.C14H19N3O2S.C14H13N3.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;1-2-5-11(6-3-1)9-15-13-7-4-8-14-12(13)10-16-17-14;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);1-8,10,15H,9H2,(H,16,17);7-9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-benzyl-1H-indazol-4-amine;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?
N-benzyl-1H-indazol-4-amine;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 1522.96 g/mol, XLogP of 11.82, 13 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1H-indazol-4-amine;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 162187072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).