4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole

C72H79Cl4F3N16O8S — CID 159236237

IUPAC4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole
SMILESCC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CCC(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.O=C(O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1
InChIInChI=1S/C15H19ClN4O.C15H18ClN3O.C14H17ClN4O.C14H9ClN2O2.C14H16F3N3O3S/c1-10(21)19(2)12-3-5-20(6-4-12)15-8-11(16)7-14-13(15)9-17-18-14;1-2-15(20)10-3-5-19(6-4-10)14-8-11(16)7-13-12(14)9-17-18-13;1-9(20)17-11-2-4-19(5-3-11)14-7-10(15)6-13-12(14)8-16-18-13;15-10-5-11(12-7-16-17-13(12)6-10)8-1-3-9(4-2-8)14(18)19;1-24(21,22)20-4-2-9(3-5-20)11-6-10(23-14(15,16)17)7-13-12(11)8-18-19-13/h7-9,12H,3-6H2,1-2H3,(H,17,18);7-10H,2-6H2,1H3,(H,17,18);6-8,11H,2-5H2,1H3,(H,16,18)(H,17,20);1-7H,(H,16,17)(H,18,19);6-9H,2-5H2,1H3,(H,18,19)
InChIKeyKTMUJNNAGXFQDO-UHFFFAOYSA-N
MW1527.40 g/mol
LogP14.58
Rot. Bonds12

About 4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole

4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole (PubChem CID 159236237) has the molecular formula C72H79Cl4F3N16O8S and a molecular weight of 1527.40 g/mol. Its IUPAC name is 4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole.

Molecular Properties

Compound Name4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole
PubChem CID159236237
Molecular FormulaC72H79Cl4F3N16O8S
Molecular Weight1527.40 g/mol
Exact Mass1524.47
IUPAC Name4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole
SMILESCC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CCC(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.O=C(O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1
InChIInChI=1S/C15H19ClN4O.C15H18ClN3O.C14H17ClN4O.C14H9ClN2O2.C14H16F3N3O3S/c1-10(21)19(2)12-3-5-20(6-4-12)15-8-11(16)7-14-13(15)9-17-18-14;1-2-15(20)10-3-5-19(6-4-10)14-8-11(16)7-13-12(14)9-17-18-13;1-9(20)17-11-2-4-19(5-3-11)14-7-10(15)6-13-12(14)8-16-18-13;15-10-5-11(12-7-16-17-13(12)6-10)8-1-3-9(4-2-8)14(18)19;1-24(21,22)20-4-2-9(3-5-20)11-6-10(23-14(15,16)17)7-13-12(11)8-18-19-13/h7-9,12H,3-6H2,1-2H3,(H,17,18);7-10H,2-6H2,1H3,(H,17,18);6-8,11H,2-5H2,1H3,(H,16,18)(H,17,20);1-7H,(H,16,17)(H,18,19);6-9H,2-5H2,1H3,(H,18,19)
InChIKeyKTMUJNNAGXFQDO-UHFFFAOYSA-N
XLogP14.58
TPSA303.51 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001527.40
LogP ≤ 514.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole with MolForge

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Related Compounds

8-(6-chloro-1H-indazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;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
CID 157177267
8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethoxy)-1H-indazole
CID 157448915
1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 157775402
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
N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylacetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole
CID 159064848
8-(6-chloro-1H-indazol-4-yl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylmethanesulfonamide;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperazin-1-yl]ethanone
CID 159490406
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-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;(6-chloro-1H-indazol-4-yl)-phenylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]acetamide;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 160102530
6-chloro-4-(2-ethyl-4-pyridinyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]-N-methylacetamide;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 160147946
9-(6-chloro-1H-indazol-4-yl)-1,9-diazaspiro[5.5]undecan-2-one;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
CID 160320391
1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;8-(6-chloro-1H-indazol-4-yl)-1,3,8-triazaspiro[4.5]decan-2-one;1-[4-[6-(trifluoromethoxy)-1H-indazol-4-yl]piperidin-1-yl]ethanone
CID 160776329
N-[4-(6-chloro-1H-indazol-4-yl)phenyl]methanesulfonamide;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 160914332

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole?
The IUPAC name of 4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole (CID 159236237) is 4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole.
What is the SMILES notation for 4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole?
The canonical SMILES for 4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole is CC(=O)N(C)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CC(=O)NC1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CCC(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)CC1.CS(=O)(=O)N1CCC(c2cc(OC(F)(F)F)cc3[nH]ncc23)CC1.O=C(O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.
What is the InChIKey of 4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole?
The InChIKey is KTMUJNNAGXFQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O.C15H18ClN3O.C14H17ClN4O.C14H9ClN2O2.C14H16F3N3O3S/c1-10(21)19(2)12-3-5-20(6-4-12)15-8-11(16)7-14-13(15)9-17-18-14;1-2-15(20)10-3-5-19(6-4-10)14-8-11(16)7-13-12(14)9-17-18-13;1-9(20)17-11-2-4-19(5-3-11)14-7-10(15)6-13-12(14)8-16-18-13;15-10-5-11(12-7-16-17-13(12)6-10)8-1-3-9(4-2-8)14(18)19;1-24(21,22)20-4-2-9(3-5-20)11-6-10(23-14(15,16)17)7-13-12(11)8-18-19-13/h7-9,12H,3-6H2,1-2H3,(H,17,18);7-10H,2-6H2,1H3,(H,17,18);6-8,11H,2-5H2,1H3,(H,16,18)(H,17,20);1-7H,(H,16,17)(H,18,19);6-9H,2-5H2,1H3,(H,18,19).
What are the key properties of 4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole?
4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole has a molecular weight of 1527.40 g/mol, XLogP of 14.58, 12 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-indazol-4-yl)benzoic acid;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]acetamide;N-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]-N-methylacetamide;1-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]propan-1-one;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethoxy)-1H-indazole is sourced from PubChem (CID 159236237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).