1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine

C68H79F4N17O8S2 — CID 162115896

IUPAC1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine
SMILESCC(=O)N1CCC(Oc2cccc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(Oc2cccc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.c1ccc(CCNc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C15H15N3.C14H17N3O2.C13H15F3N4O2S.C13H15FN4O.C13H17N3O3S/c1-2-5-12(6-3-1)9-10-16-14-7-4-8-15-13(14)11-17-18-15;1-10(18)17-7-5-11(6-8-17)19-14-4-2-3-13-12(14)9-15-16-13;1-23(21,22)20-4-2-19(3-5-20)12-7-9(13(14,15)16)6-11-10(12)8-17-18-11;1-9(19)17-2-4-18(5-3-17)13-7-10(14)6-12-11(13)8-15-16-12;1-20(17,18)16-7-5-10(6-8-16)19-13-4-2-3-12-11(13)9-14-15-12/h1-8,11,16H,9-10H2,(H,17,18);2-4,9,11H,5-8H2,1H3,(H,15,16);6-8H,2-5H2,1H3,(H,17,18);6-8H,2-5H2,1H3,(H,15,16);2-4,9-10H,5-8H2,1H3,(H,14,15)
InChIKeyZGTHNCQQPDDHHY-UHFFFAOYSA-N
MW1402.62 g/mol
LogP9.57
Rot. Bonds12

About 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine

1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine (PubChem CID 162115896) has the molecular formula C68H79F4N17O8S2 and a molecular weight of 1402.62 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine.

Molecular Properties

Compound Name1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine
PubChem CID162115896
Molecular FormulaC68H79F4N17O8S2
Molecular Weight1402.62 g/mol
Exact Mass1401.57
IUPAC Name1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine
SMILESCC(=O)N1CCC(Oc2cccc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(Oc2cccc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.c1ccc(CCNc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C15H15N3.C14H17N3O2.C13H15F3N4O2S.C13H15FN4O.C13H17N3O3S/c1-2-5-12(6-3-1)9-10-16-14-7-4-8-15-13(14)11-17-18-15;1-10(18)17-7-5-11(6-8-17)19-14-4-2-3-13-12(14)9-15-16-13;1-23(21,22)20-4-2-19(3-5-20)12-7-9(13(14,15)16)6-11-10(12)8-17-18-11;1-9(19)17-2-4-18(5-3-17)13-7-10(14)6-12-11(13)8-15-16-12;1-20(17,18)16-7-5-10(6-8-16)19-13-4-2-3-12-11(13)9-14-15-12/h1-8,11,16H,9-10H2,(H,17,18);2-4,9,11H,5-8H2,1H3,(H,15,16);6-8H,2-5H2,1H3,(H,17,18);6-8H,2-5H2,1H3,(H,15,16);2-4,9-10H,5-8H2,1H3,(H,14,15)
InChIKeyZGTHNCQQPDDHHY-UHFFFAOYSA-N
XLogP9.57
TPSA295.75 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001402.62
LogP ≤ 59.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine with MolForge

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Related Compounds

N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperidin-1-yl]ethanone
CID 158412075
1-[4-(6-cyclopentyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopentyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole
CID 160436569
6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-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 157635615
4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine
CID 159084901
1-[4-[(6-chloro-1H-indazol-4-yl)oxy]piperidin-1-yl]ethanone;6-chloro-1-(2-methoxyethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyindazole;6-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;2-[6-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]ethanol;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-ethyl-1H-indazole
CID 159354891
4-[4-(benzenesulfonyl)piperazin-1-yl]-6-chloro-1H-indazole;6-chloro-4-(4-cyclopropylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole
CID 159383821
N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-[4-(1-methylindazol-7-yl)piperazin-1-yl]ethanone;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;N-phenyl-1H-indazol-4-amine
CID 159575417
N-benzyl-1H-indazol-4-amine;N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;4-(4-methylsulfonylpiperazin-1-yl)-6-phenyl-1H-indazole;N-phenyl-1H-indazol-4-amine
CID 159997459
N-[2-(1H-indazol-4-yloxy)ethyl]methanesulfonamide;1-[4-(1-methylindazol-7-yl)piperazin-1-yl]ethanone;1-methyl-7-(4-methylsulfonylpiperazin-1-yl)indazole;7-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole;N-phenyl-1H-indazol-4-amine
CID 160221470
1-[4-[(6-chloro-1H-indazol-4-yl)oxy]piperidin-1-yl]ethanone;6-chloro-1-(2-methoxyethyl)-4-(1-methylsulfonylpiperidin-4-yl)oxyindazole;2-[6-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyindazol-1-yl]ethanol;6-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-ethyl-1H-indazole
CID 161463015

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine?
The IUPAC name of 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine (CID 162115896) is 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine.
What is the SMILES notation for 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine?
The canonical SMILES for 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine is CC(=O)N1CCC(Oc2cccc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(Oc2cccc3[nH]ncc23)CC1.CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.c1ccc(CCNc2cccc3[nH]ncc23)cc1.
What is the InChIKey of 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine?
The InChIKey is ZGTHNCQQPDDHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3.C14H17N3O2.C13H15F3N4O2S.C13H15FN4O.C13H17N3O3S/c1-2-5-12(6-3-1)9-10-16-14-7-4-8-15-13(14)11-17-18-15;1-10(18)17-7-5-11(6-8-17)19-14-4-2-3-13-12(14)9-15-16-13;1-23(21,22)20-4-2-19(3-5-20)12-7-9(13(14,15)16)6-11-10(12)8-17-18-11;1-9(19)17-2-4-18(5-3-17)13-7-10(14)6-12-11(13)8-15-16-12;1-20(17,18)16-7-5-10(6-8-16)19-13-4-2-3-12-11(13)9-14-15-12/h1-8,11,16H,9-10H2,(H,17,18);2-4,9,11H,5-8H2,1H3,(H,15,16);6-8H,2-5H2,1H3,(H,17,18);6-8H,2-5H2,1H3,(H,15,16);2-4,9-10H,5-8H2,1H3,(H,14,15).
What are the key properties of 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine?
1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine has a molecular weight of 1402.62 g/mol, XLogP of 9.57, 12 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;1-[4-(1H-indazol-4-yloxy)piperidin-1-yl]ethanone;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole;4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;N-(2-phenylethyl)-1H-indazol-4-amine is sourced from PubChem (CID 162115896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).