3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole

C76H83Cl5N12O9S2 — CID 158818557

IUPAC3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole
SMILESCC(=O)N1CCC(CCC(=O)c2cc(Cl)cc3[nH]ncc23)CC1.COc1cc(-c2cc(Cl)cc3[nH]ncc23)ccc1S(C)(=O)=O.CS(=O)(=O)NCc1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.OC(CC1CCCCC1)c1cc(Cl)cc2[nH]ncc12.OC(c1cc(Cl)cc2[nH]ncc12)C1CCCCC1
InChIInChI=1S/C17H20ClN3O2.C15H14ClN3O2S.C15H13ClN2O3S.C15H19ClN2O.C14H17ClN2O/c1-11(22)21-6-4-12(5-7-21)2-3-17(23)14-8-13(18)9-16-15(14)10-19-20-16;1-22(20,21)18-8-10-2-4-11(5-3-10)13-6-12(16)7-15-14(13)9-17-19-15;1-21-14-5-9(3-4-15(14)22(2,19)20)11-6-10(16)7-13-12(11)8-17-18-13;16-11-7-12(13-9-17-18-14(13)8-11)15(19)6-10-4-2-1-3-5-10;15-10-6-11(12-8-16-17-13(12)7-10)14(18)9-4-2-1-3-5-9/h8-10,12H,2-7H2,1H3,(H,19,20);2-7,9,18H,8H2,1H3,(H,17,19);3-8H,1-2H3,(H,17,18);7-10,15,19H,1-6H2,(H,17,18);6-9,14,18H,1-5H2,(H,16,17)
InChIKeyIVORELNPLRZIGT-UHFFFAOYSA-N
MW1549.97 g/mol
LogP17.72
Rot. Bonds16

About 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole

3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole (PubChem CID 158818557) has the molecular formula C76H83Cl5N12O9S2 and a molecular weight of 1549.97 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole
PubChem CID158818557
Molecular FormulaC76H83Cl5N12O9S2
Molecular Weight1549.97 g/mol
Exact Mass1546.43
IUPAC Name3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole
SMILESCC(=O)N1CCC(CCC(=O)c2cc(Cl)cc3[nH]ncc23)CC1.COc1cc(-c2cc(Cl)cc3[nH]ncc23)ccc1S(C)(=O)=O.CS(=O)(=O)NCc1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.OC(CC1CCCCC1)c1cc(Cl)cc2[nH]ncc12.OC(c1cc(Cl)cc2[nH]ncc12)C1CCCCC1
InChIInChI=1S/C17H20ClN3O2.C15H14ClN3O2S.C15H13ClN2O3S.C15H19ClN2O.C14H17ClN2O/c1-11(22)21-6-4-12(5-7-21)2-3-17(23)14-8-13(18)9-16-15(14)10-19-20-16;1-22(20,21)18-8-10-2-4-11(5-3-10)13-6-12(16)7-15-14(13)9-17-19-15;1-21-14-5-9(3-4-15(14)22(2,19)20)11-6-10(16)7-13-12(11)8-17-18-13;16-11-7-12(13-9-17-18-14(13)8-11)15(19)6-10-4-2-1-3-5-10;15-10-6-11(12-8-16-17-13(12)7-10)14(18)9-4-2-1-3-5-9/h8-10,12H,2-7H2,1H3,(H,19,20);2-7,9,18H,8H2,1H3,(H,17,19);3-8H,1-2H3,(H,17,18);7-10,15,19H,1-6H2,(H,17,18);6-9,14,18H,1-5H2,(H,16,17)
InChIKeyIVORELNPLRZIGT-UHFFFAOYSA-N
XLogP17.72
TPSA310.78 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001549.97
LogP ≤ 517.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole with MolForge

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Related Compounds

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
1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-3-methylbutan-1-ol;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 161827664
N-[(1-acetylpiperidin-4-yl)methyl]-6-chloro-1-[[4-(6-chloro-1H-indazol-4-yl)-2-methoxyphenyl]sulfonylmethyl]indazole-4-carboxamide
CID 146648049
4-(6-chloro-1H-indazol-4-yl)benzenesulfonamide;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;4-[1-(6-chloro-1H-indazol-4-yl)piperidin-4-yl]butan-2-one;(6-chloro-1H-indazol-4-yl)-piperidin-1-ylmethanone
CID 158357743
6-chloro-4-(3-chloro-4-methylsulfonylphenyl)-1H-indazole;6-chloro-N-ethyl-1H-indazole-4-carboxamide;6-chloro-4-(3-fluoro-4-methylsulfonylphenyl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;4-(2-methylpropoxy)-1H-indazole
CID 158362002
2-chloro-4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]phenol;2-[4-(4-chloro-3-methoxyphenyl)-2-methylbutan-2-yl]-5-methylsulfonyl-1,3-dihydroisoindole;2-chloro-4-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]phenol;[2-[4-(1H-indazol-5-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-piperidin-1-ylmethanone;[2-[4-(1H-indazol-5-yl)-2-methylbut-3-yn-2-yl]-1,3-dihydroisoindol-4-yl]-piperidin-1-ylmethanone
CID 159011969
2-chloro-4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]phenol;2-[4-(4-chloro-3-methoxyphenyl)-2-methylbutan-2-yl]-5-methylsulfonyl-1,3-dihydroisoindole;2-chloro-4-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]phenol;[2-chloro-4-[3-methyl-3-[4-(1-piperazin-1-ylethenyl)-1,3-dihydroisoindol-2-yl]butyl]phenyl]methanol;[2-[4-(1H-indazol-5-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-piperidin-1-ylmethanone;[2-[4-(1H-indazol-5-yl)-2-methylbut-3-yn-2-yl]-1,3-dihydroisoindol-4-yl]-piperidin-1-ylmethanone
CID 159110432
2-chloro-4-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]phenol;[2-chloro-5-[3-(4-fluoro-1,3-dihydroisoindol-2-yl)-3-methylbutyl]phenyl]methanol;2-[4-(4-chloro-3-methoxyphenyl)-2-methylbutan-2-yl]-5-methylsulfonyl-1,3-dihydroisoindole;2-chloro-4-[3-methyl-3-(5-methylsulfonyl-1,3-dihydroisoindol-2-yl)butyl]phenol;[2-[4-(1H-indazol-5-yl)-2-methylbutan-2-yl]-1,3-dihydroisoindol-4-yl]-piperidin-1-ylmethanone;[2-[4-(1H-indazol-5-yl)-2-methylbut-3-yn-2-yl]-1,3-dihydroisoindol-4-yl]-piperidin-1-ylmethanone
CID 159539886
3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole
CID 161388466
6-chloro-4-(3-chloro-4-methylsulfonylphenyl)-1H-indazole;6-chloro-N-ethyl-1H-indazole-4-carboxamide;6-chloro-4-(3-fluoro-4-methylsulfonylphenyl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;6-chloro-4-(2-methoxy-4-methylsulfonylphenyl)-1H-indazole;4-(2-methylpropoxy)-1H-indazole
CID 161397232
6-chloro-4-(2-fluoro-4-methylsulfonylphenyl)-1H-indazole;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzenesulfonamide;1-(6-chloro-1H-indazol-4-yl)-N-methylpyrrolidine-3-carboxamide;(6-chloro-1H-indazol-4-yl)-(oxan-4-yl)methanol;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole
CID 161434439

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole (CID 158818557) is 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole is CC(=O)N1CCC(CCC(=O)c2cc(Cl)cc3[nH]ncc23)CC1.COc1cc(-c2cc(Cl)cc3[nH]ncc23)ccc1S(C)(=O)=O.CS(=O)(=O)NCc1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.OC(CC1CCCCC1)c1cc(Cl)cc2[nH]ncc12.OC(c1cc(Cl)cc2[nH]ncc12)C1CCCCC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole?
The InChIKey is IVORELNPLRZIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2.C15H14ClN3O2S.C15H13ClN2O3S.C15H19ClN2O.C14H17ClN2O/c1-11(22)21-6-4-12(5-7-21)2-3-17(23)14-8-13(18)9-16-15(14)10-19-20-16;1-22(20,21)18-8-10-2-4-11(5-3-10)13-6-12(16)7-15-14(13)9-17-19-15;1-21-14-5-9(3-4-15(14)22(2,19)20)11-6-10(16)7-13-12(11)8-17-18-13;16-11-7-12(13-9-17-18-14(13)8-11)15(19)6-10-4-2-1-3-5-10;15-10-6-11(12-8-16-17-13(12)7-10)14(18)9-4-2-1-3-5-9/h8-10,12H,2-7H2,1H3,(H,19,20);2-7,9,18H,8H2,1H3,(H,17,19);3-8H,1-2H3,(H,17,18);7-10,15,19H,1-6H2,(H,17,18);6-9,14,18H,1-5H2,(H,16,17).
What are the key properties of 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole?
3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole has a molecular weight of 1549.97 g/mol, XLogP of 17.72, 16 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-1-(6-chloro-1H-indazol-4-yl)propan-1-one;1-(6-chloro-1H-indazol-4-yl)-2-cyclohexylethanol;(6-chloro-1H-indazol-4-yl)-cyclohexylmethanol;N-[[4-(6-chloro-1H-indazol-4-yl)phenyl]methyl]methanesulfonamide;6-chloro-4-(3-methoxy-4-methylsulfonylphenyl)-1H-indazole is sourced from PubChem (CID 158818557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).