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

C72H73Cl5FN13O10S2 — CID 161388466

IUPAC3-(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
SMILESCC(=O)N1CCC(CCC(=O)c2cc(Cl)cc3[nH]ncc23)CC1.CNC(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.COc1cc(-c2cc(Cl)cc3[nH]ncc23)ccc1S(C)(=O)=O.CS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)c(F)c1.OC(c1cc(Cl)cc2[nH]ncc12)C1CCOCC1
InChIInChI=1S/C17H20ClN3O2.C15H13ClN2O3S.C14H10ClFN2O2S.C13H15ClN4O.C13H15ClN2O2/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;1-21-14-5-9(3-4-15(14)22(2,19)20)11-6-10(16)7-13-12(11)8-17-18-13;1-21(19,20)9-2-3-10(13(16)6-9)11-4-8(15)5-14-12(11)7-17-18-14;1-15-13(19)8-2-3-18(7-8)12-5-9(14)4-11-10(12)6-16-17-11;14-9-5-10(11-7-15-16-12(11)6-9)13(17)8-1-3-18-4-2-8/h8-10,12H,2-7H2,1H3,(H,19,20);3-8H,1-2H3,(H,17,18);2-7H,1H3,(H,17,18);4-6,8H,2-3,7H2,1H3,(H,15,19)(H,16,17);5-8,13,17H,1-4H2,(H,15,16)
InChIKeyVSQUJBFMJMSCNQ-UHFFFAOYSA-N
MW1540.85 g/mol
LogP14.62
Rot. Bonds13

About 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

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 (PubChem CID 161388466) has the molecular formula C72H73Cl5FN13O10S2 and a molecular weight of 1540.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID161388466
Molecular FormulaC72H73Cl5FN13O10S2
Molecular Weight1540.85 g/mol
Exact Mass1537.35
IUPAC Name3-(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
SMILESCC(=O)N1CCC(CCC(=O)c2cc(Cl)cc3[nH]ncc23)CC1.CNC(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.COc1cc(-c2cc(Cl)cc3[nH]ncc23)ccc1S(C)(=O)=O.CS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)c(F)c1.OC(c1cc(Cl)cc2[nH]ncc12)C1CCOCC1
InChIInChI=1S/C17H20ClN3O2.C15H13ClN2O3S.C14H10ClFN2O2S.C13H15ClN4O.C13H15ClN2O2/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;1-21-14-5-9(3-4-15(14)22(2,19)20)11-6-10(16)7-13-12(11)8-17-18-13;1-21(19,20)9-2-3-10(13(16)6-9)11-4-8(15)5-14-12(11)7-17-18-14;1-15-13(19)8-2-3-18(7-8)12-5-9(14)4-11-10(12)6-16-17-11;14-9-5-10(11-7-15-16-12(11)6-9)13(17)8-1-3-18-4-2-8/h8-10,12H,2-7H2,1H3,(H,19,20);3-8H,1-2H3,(H,17,18);2-7H,1H3,(H,17,18);4-6,8H,2-3,7H2,1H3,(H,15,19)(H,16,17);5-8,13,17H,1-4H2,(H,15,16)
InChIKeyVSQUJBFMJMSCNQ-UHFFFAOYSA-N
XLogP14.62
TPSA320.09 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001540.85
LogP ≤ 514.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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
CID 160400854
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;1-(6-chloro-1H-indazol-4-yl)piperidine-4-carboxylic acid
CID 160829451
6-chloro-N-ethyl-1H-indazole-4-carboxamide;1-(6-chloro-1H-indazol-4-yl)-3-cyclohexylpropan-1-one;1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;1-(6-chloro-1H-indazol-4-yl)-2-methylpropan-1-ol;2-(6-chloro-1H-indazol-4-yl)propan-2-ol;4-(2-methylpropoxy)-1H-indazole
CID 161247156

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCC(CCC(=O)c2cc(Cl)cc3[nH]ncc23)CC1.CNC(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.COc1cc(-c2cc(Cl)cc3[nH]ncc23)ccc1S(C)(=O)=O.CS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)c(F)c1.OC(c1cc(Cl)cc2[nH]ncc12)C1CCOCC1.
What is the InChIKey of 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?
The InChIKey is VSQUJBFMJMSCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2.C15H13ClN2O3S.C14H10ClFN2O2S.C13H15ClN4O.C13H15ClN2O2/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;1-21-14-5-9(3-4-15(14)22(2,19)20)11-6-10(16)7-13-12(11)8-17-18-13;1-21(19,20)9-2-3-10(13(16)6-9)11-4-8(15)5-14-12(11)7-17-18-14;1-15-13(19)8-2-3-18(7-8)12-5-9(14)4-11-10(12)6-16-17-11;14-9-5-10(11-7-15-16-12(11)6-9)13(17)8-1-3-18-4-2-8/h8-10,12H,2-7H2,1H3,(H,19,20);3-8H,1-2H3,(H,17,18);2-7H,1H3,(H,17,18);4-6,8H,2-3,7H2,1H3,(H,15,19)(H,16,17);5-8,13,17H,1-4H2,(H,15,16).
What are the key properties of 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?
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 has a molecular weight of 1540.85 g/mol, XLogP of 14.62, 13 rotatable bonds, 7 hydrogen bond donors, and 16 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;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 is sourced from PubChem (CID 161388466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).