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

C72H81Cl2FN18O8S3 — CID 159084901

IUPAC4-[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
SMILESCC(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(Oc2cccc3[nH]ncc23)CC1.O=S(=O)(C1CC1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=S(=O)(c1ccccc1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.c1ccc(CCNc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C17H17ClN4O2S.C15H15N3.C14H17ClN4O2S.C13H15FN4O.C13H17N3O3S/c18-13-10-16-15(12-19-20-16)17(11-13)21-6-8-22(9-7-21)25(23,24)14-4-2-1-3-5-14;1-2-5-12(6-3-1)9-10-16-14-7-4-8-15-13(14)11-17-18-15;15-10-7-13-12(9-16-17-13)14(8-10)18-3-5-19(6-4-18)22(20,21)11-1-2-11;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/h1-5,10-12H,6-9H2,(H,19,20);1-8,11,16H,9-10H2,(H,17,18);7-9,11H,1-6H2,(H,16,17);6-8H,2-5H2,1H3,(H,15,16);2-4,9-10H,5-8H2,1H3,(H,14,15)
InChIKeyKBICWPVUCQMAGU-UHFFFAOYSA-N
MW1512.66 g/mol
LogP10.51
Rot. Bonds14

About 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

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 (PubChem CID 159084901) has the molecular formula C72H81Cl2FN18O8S3 and a molecular weight of 1512.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID159084901
Molecular FormulaC72H81Cl2FN18O8S3
Molecular Weight1512.66 g/mol
Exact Mass1510.50
IUPAC Name4-[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
SMILESCC(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(Oc2cccc3[nH]ncc23)CC1.O=S(=O)(C1CC1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=S(=O)(c1ccccc1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.c1ccc(CCNc2cccc3[nH]ncc23)cc1
InChIInChI=1S/C17H17ClN4O2S.C15H15N3.C14H17ClN4O2S.C13H15FN4O.C13H17N3O3S/c18-13-10-16-15(12-19-20-16)17(11-13)21-6-8-22(9-7-21)25(23,24)14-4-2-1-3-5-14;1-2-5-12(6-3-1)9-10-16-14-7-4-8-15-13(14)11-17-18-15;15-10-7-13-12(9-16-17-13)14(8-10)18-3-5-19(6-4-18)22(20,21)11-1-2-11;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/h1-5,10-12H,6-9H2,(H,19,20);1-8,11,16H,9-10H2,(H,17,18);7-9,11H,1-6H2,(H,16,17);6-8H,2-5H2,1H3,(H,15,16);2-4,9-10H,5-8H2,1H3,(H,14,15)
InChIKeyKBICWPVUCQMAGU-UHFFFAOYSA-N
XLogP10.51
TPSA306.83 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds14
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001512.66
LogP ≤ 510.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

5-(6-chloro-1H-indazol-4-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]pyrrolidin-2-one;1'-(6-chloro-1H-indazol-4-yl)spiro[1H-indole-3,4'-piperidine]-2-one;6-chloro-4-(4-methylsulfonylphenoxy)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indazole
CID 159449438
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
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
1-[4-(6-chloro-1H-indazol-4-yl)-2-methylpiperazin-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 157884300
4-butoxy-6-chloro-1-methylindazole;6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindazole;1-[(2R,6R)-4-(6-chloro-1H-indazol-4-yl)-2,6-dimethylpiperazin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1-methylindazol-4-yl)-2,2-dimethylpiperazin-1-yl]ethanone
CID 158776658
1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-propan-2-yl-1H-indazol-4-yl)piperazin-1-yl]ethanone
CID 159220654
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
6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;1-[4-(6-chloro-1H-indazol-4-yl)-2-ethylpiperazin-1-yl]ethanone;2-[(6-chloro-1H-indazol-4-yl)oxy]ethanol;1-[4-(6-cyclopropyl-1H-indazol-4-yl)piperidin-1-yl]ethanone;6-cyclopropyl-4-(1-methylsulfonylpiperidin-4-yl)-1H-indazole
CID 160155749
6-chloro-4-(3-ethyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpiperazine-1-carboxamide;1-[4-(6-chloro-1H-indazol-4-yl)-2-ethylpiperazin-1-yl]ethanone;2-[(6-chloro-1H-indazol-4-yl)oxy]ethanol;4-(6-chloro-1H-indazol-4-yl)piperazine-1-sulfonamide
CID 160160332
1-[4-[(6-chloro-1H-indazol-4-yl)oxy]piperidin-1-yl]ethanone;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-cyclopropylmethanone;6-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-ethyl-1H-indazole
CID 160425800
1-[4-(6-chloro-1H-indazol-4-yl)-1,4-diazepan-1-yl]ethanone;6-chloro-4-(3-methyl-4-methylsulfonylpiperazin-1-yl)-1H-indazole;6-chloro-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-1H-indazole;1-[4-(6-methoxy-1H-indazol-4-yl)piperazin-1-yl]ethanone;6-methoxy-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole
CID 161356122

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(Oc2cccc3[nH]ncc23)CC1.O=S(=O)(C1CC1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.O=S(=O)(c1ccccc1)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.c1ccc(CCNc2cccc3[nH]ncc23)cc1.
What is the InChIKey of 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?
The InChIKey is KBICWPVUCQMAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2S.C15H15N3.C14H17ClN4O2S.C13H15FN4O.C13H17N3O3S/c18-13-10-16-15(12-19-20-16)17(11-13)21-6-8-22(9-7-21)25(23,24)14-4-2-1-3-5-14;1-2-5-12(6-3-1)9-10-16-14-7-4-8-15-13(14)11-17-18-15;15-10-7-13-12(9-16-17-13)14(8-10)18-3-5-19(6-4-18)22(20,21)11-1-2-11;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/h1-5,10-12H,6-9H2,(H,19,20);1-8,11,16H,9-10H2,(H,17,18);7-9,11H,1-6H2,(H,16,17);6-8H,2-5H2,1H3,(H,15,16);2-4,9-10H,5-8H2,1H3,(H,14,15).
What are the key properties of 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?
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 has a molecular weight of 1512.66 g/mol, XLogP of 10.51, 14 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159084901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).