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

C74H98Cl4N16O15S4 — CID 159354891

IUPAC1-[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
SMILESCC(=O)N1CCC(Oc2cc(Cl)cc3[nH]ncc23)CC1.CCc1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cn[nH]c2c1.COCCn1ncc2c(OC3CCN(S(C)(=O)=O)CC3)cc(Cl)cc21.CS(=O)(=O)N1CCC(Oc2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(Oc2cc(Cl)cc3c2cnn3CCO)CC1
InChIInChI=1S/C16H22ClN3O4S.C16H24N4O2S.C15H20ClN3O4S.C14H16ClN3O2.C13H16ClN3O3S/c1-23-8-7-20-15-9-12(17)10-16(14(15)11-18-20)24-13-3-5-19(6-4-13)25(2,21)22;1-5-12-8-14-13(10-17-18-14)15(9-12)19-6-7-20(23(4,21)22)16(2,3)11-19;1-24(21,22)18-4-2-12(3-5-18)23-15-9-11(16)8-14-13(15)10-17-19(14)6-7-20;1-9(19)18-4-2-11(3-5-18)20-14-7-10(15)6-13-12(14)8-16-17-13;1-21(18,19)17-4-2-10(3-5-17)20-13-7-9(14)6-12-11(13)8-15-16-12/h9-11,13H,3-8H2,1-2H3;8-10H,5-7,11H2,1-4H3,(H,17,18);8-10,12,20H,2-7H2,1H3;6-8,11H,2-5H2,1H3,(H,16,17);6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyLHULVUAXKRGNEF-UHFFFAOYSA-N
MW1721.77 g/mol
LogP10.23
Rot. Bonds19

About 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

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 (PubChem CID 159354891) has the molecular formula C74H98Cl4N16O15S4 and a molecular weight of 1721.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID159354891
Molecular FormulaC74H98Cl4N16O15S4
Molecular Weight1721.77 g/mol
Exact Mass1718.50
IUPAC Name1-[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
SMILESCC(=O)N1CCC(Oc2cc(Cl)cc3[nH]ncc23)CC1.CCc1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cn[nH]c2c1.COCCn1ncc2c(OC3CCN(S(C)(=O)=O)CC3)cc(Cl)cc21.CS(=O)(=O)N1CCC(Oc2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(Oc2cc(Cl)cc3c2cnn3CCO)CC1
InChIInChI=1S/C16H22ClN3O4S.C16H24N4O2S.C15H20ClN3O4S.C14H16ClN3O2.C13H16ClN3O3S/c1-23-8-7-20-15-9-12(17)10-16(14(15)11-18-20)24-13-3-5-19(6-4-13)25(2,21)22;1-5-12-8-14-13(10-17-18-14)15(9-12)19-6-7-20(23(4,21)22)16(2,3)11-19;1-24(21,22)18-4-2-12(3-5-18)23-15-9-11(16)8-14-13(15)10-17-19(14)6-7-20;1-9(19)18-4-2-11(3-5-18)20-14-7-10(15)6-13-12(14)8-16-17-13;1-21(18,19)17-4-2-10(3-5-17)20-13-7-9(14)6-12-11(13)8-15-16-12/h9-11,13H,3-8H2,1-2H3;8-10H,5-7,11H2,1-4H3,(H,17,18);8-10,12,20H,2-7H2,1H3;6-8,11H,2-5H2,1H3,(H,16,17);6-8,10H,2-5H2,1H3,(H,15,16)
InChIKeyLHULVUAXKRGNEF-UHFFFAOYSA-N
XLogP10.23
TPSA361.13 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001721.77
LogP ≤ 510.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 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 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
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
9-(6-chloro-1H-indazol-4-yl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;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 159829187
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
1-[4-[(6-chloro-1H-indazol-4-yl)oxy]piperidin-1-yl]ethanone;6-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxy-1H-indazole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-ethyl-1H-indazole;6-ethyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indazole;2-[4-(4-methylsulfonylpiperazin-1-yl)-1H-indazol-6-yl]-1,3-oxazole
CID 157955260
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
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)-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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCC(Oc2cc(Cl)cc3[nH]ncc23)CC1.CCc1cc(N2CCN(S(C)(=O)=O)C(C)(C)C2)c2cn[nH]c2c1.COCCn1ncc2c(OC3CCN(S(C)(=O)=O)CC3)cc(Cl)cc21.CS(=O)(=O)N1CCC(Oc2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(Oc2cc(Cl)cc3c2cnn3CCO)CC1.
What is the InChIKey of 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?
The InChIKey is LHULVUAXKRGNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O4S.C16H24N4O2S.C15H20ClN3O4S.C14H16ClN3O2.C13H16ClN3O3S/c1-23-8-7-20-15-9-12(17)10-16(14(15)11-18-20)24-13-3-5-19(6-4-13)25(2,21)22;1-5-12-8-14-13(10-17-18-14)15(9-12)19-6-7-20(23(4,21)22)16(2,3)11-19;1-24(21,22)18-4-2-12(3-5-18)23-15-9-11(16)8-14-13(15)10-17-19(14)6-7-20;1-9(19)18-4-2-11(3-5-18)20-14-7-10(15)6-13-12(14)8-16-17-13;1-21(18,19)17-4-2-10(3-5-17)20-13-7-9(14)6-12-11(13)8-15-16-12/h9-11,13H,3-8H2,1-2H3;8-10H,5-7,11H2,1-4H3,(H,17,18);8-10,12,20H,2-7H2,1H3;6-8,11H,2-5H2,1H3,(H,16,17);6-8,10H,2-5H2,1H3,(H,15,16).
What are the key properties of 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?
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 has a molecular weight of 1721.77 g/mol, XLogP of 10.23, 19 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159354891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).