1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

C82H115Cl3F3N15O10S — CID 160709423

IUPAC1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCC(C)c1cc(N)n(C2CCCCC2)n1.CC(C)c1nn(C2CCCCC2)c2[nH]c(=O)cc(O)c12.CC(C)c1nn(C2CCCCC2)c2nc(Cl)cc(Cl)c12.CCOC(=O)CC(C)=O.COC(=O)c1cc(Cl)c2c(C(C)C)nn(C3CCCCC3)c2n1.Cc1cc(OS(=O)(=O)C(F)(F)F)c2c(C(C)C)nn(C3CCCCC3)c2n1
InChIInChI=1S/C17H22ClN3O2.C17H22F3N3O3S.C15H19Cl2N3.C15H21N3O2.C12H21N3.C6H10O3/c1-10(2)15-14-12(18)9-13(17(22)23-3)19-16(14)21(20-15)11-7-5-4-6-8-11;1-10(2)15-14-13(26-27(24,25)17(18,19)20)9-11(3)21-16(14)23(22-15)12-7-5-4-6-8-12;1-9(2)14-13-11(16)8-12(17)18-15(13)20(19-14)10-6-4-3-5-7-10;1-9(2)14-13-11(19)8-12(20)16-15(13)18(17-14)10-6-4-3-5-7-10;1-9(2)11-8-12(13)15(14-11)10-6-4-3-5-7-10;1-3-9-6(8)4-5(2)7/h9-11H,4-8H2,1-3H3;9-10,12H,4-8H2,1-3H3;8-10H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3,(H2,16,19,20);8-10H,3-7,13H2,1-2H3;3-4H2,1-2H3
InChIKeyRRQRLDSAFPBNLX-UHFFFAOYSA-N
MW1666.34 g/mol
LogP21.14
Rot. Bonds16

About 1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate

1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 160709423) has the molecular formula C82H115Cl3F3N15O10S and a molecular weight of 1666.34 g/mol. Its IUPAC name is 1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.

Molecular Properties

Compound Name1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
PubChem CID160709423
Molecular FormulaC82H115Cl3F3N15O10S
Molecular Weight1666.34 g/mol
Exact Mass1663.77
IUPAC Name1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
SMILESCC(C)c1cc(N)n(C2CCCCC2)n1.CC(C)c1nn(C2CCCCC2)c2[nH]c(=O)cc(O)c12.CC(C)c1nn(C2CCCCC2)c2nc(Cl)cc(Cl)c12.CCOC(=O)CC(C)=O.COC(=O)c1cc(Cl)c2c(C(C)C)nn(C3CCCCC3)c2n1.Cc1cc(OS(=O)(=O)C(F)(F)F)c2c(C(C)C)nn(C3CCCCC3)c2n1
InChIInChI=1S/C17H22ClN3O2.C17H22F3N3O3S.C15H19Cl2N3.C15H21N3O2.C12H21N3.C6H10O3/c1-10(2)15-14-12(18)9-13(17(22)23-3)19-16(14)21(20-15)11-7-5-4-6-8-11;1-10(2)15-14-13(26-27(24,25)17(18,19)20)9-11(3)21-16(14)23(22-15)12-7-5-4-6-8-12;1-9(2)14-13-11(16)8-12(17)18-15(13)20(19-14)10-6-4-3-5-7-10;1-9(2)14-13-11(19)8-12(20)16-15(13)18(17-14)10-6-4-3-5-7-10;1-9(2)11-8-12(13)15(14-11)10-6-4-3-5-7-10;1-3-9-6(8)4-5(2)7/h9-11H,4-8H2,1-3H3;9-10,12H,4-8H2,1-3H3;8-10H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3,(H2,16,19,20);8-10H,3-7,13H2,1-2H3;3-4H2,1-2H3
InChIKeyRRQRLDSAFPBNLX-UHFFFAOYSA-N
XLogP21.14
TPSA319.92 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001666.34
LogP ≤ 521.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate with MolForge

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Related Compounds

potassium;carbon dioxide;4-chloro-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine;4-chloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-3-methyl-1-phenylpyrazolo[5,4-b]pyridine;diethyl propanedioate;4-hydroxy-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one;5-methyl-2-phenylpyrazol-3-amine;[3-methyl-1-phenyl-6-(trifluoromethylsulfonyloxy)pyrazolo[5,4-b]pyridin-4-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate;trimethyl(oxido)silane;hydrochloride
CID 157623661
4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylic acid;4,6-dichloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;diethyl 2-methylpropanedioate;1-(4-fluorophenyl)-4-hydroxy-5-methyl-3-propan-2-yl-7,7a-dihydro-3aH-pyrazolo[3,4-b]pyridin-6-one;1-(4-fluorophenyl)-3-propan-2-ylpyrazol-5-amine;methyl 4-chloro-1-(4-fluorophenyl)-5-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 157288075
3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one;3-cyclobutyl-1-phenylpyrazol-5-amine;4,6-dichloro-3-(cyclobutanecarboximidoyl)-N-phenylpyridin-2-amine;dichlorophosphoryloxybenzene;ethyl 3-oxobutanoate;methyl 4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 158327195
3-cyclobutyl-1-(4-fluorophenyl)-4-hydroxy-7H-pyrazolo[5,4-b]pyridin-6-one;3-cyclobutyl-1-(4-fluorophenyl)pyrazol-5-amine;4,6-dichloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate
CID 158548646
3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one;3-cyclobutyl-1-phenylpyrazol-5-amine;4,6-dichloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine;dichlorophosphoryloxybenzene;ethyl 3-oxobutanoate;methyl 4-chloro-3-cyclobutyl-1-phenylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 161162215
3-cyclobutyl-1-cyclohexyl-4-hydroxy-3aH-pyrazolo[3,4-b]pyridin-6-one;3-cyclobutyl-1-cyclohexylpyrazol-5-amine;4,6-dichloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-3-cyclobutyl-1-cyclohexylpyrazolo[5,4-b]pyridine-6-carboxylate
CID 161280488
3-cyclobutyl-N-(dimethylsulfamoyl)-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide;1-cyclobutylethanone;3-cyclobutyl-1-(4-fluorophenyl)-4-hydroxy-7H-pyrazolo[5,4-b]pyridin-6-one;3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylic acid;3-cyclobutyl-1-(4-fluorophenyl)pyrazol-5-amine;3-cyclobutyl-3-oxopropanenitrile;4,6-dichloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine;methyl 4-chloro-3-cyclobutyl-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-6-carboxylate;methyl 3-cyclobutyl-1-(4-fluorophenyl)-4-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxylate
CID 165046357

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of 1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate (CID 160709423) is 1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for 1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for 1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is CC(C)c1cc(N)n(C2CCCCC2)n1.CC(C)c1nn(C2CCCCC2)c2[nH]c(=O)cc(O)c12.CC(C)c1nn(C2CCCCC2)c2nc(Cl)cc(Cl)c12.CCOC(=O)CC(C)=O.COC(=O)c1cc(Cl)c2c(C(C)C)nn(C3CCCCC3)c2n1.Cc1cc(OS(=O)(=O)C(F)(F)F)c2c(C(C)C)nn(C3CCCCC3)c2n1.
What is the InChIKey of 1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is RRQRLDSAFPBNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2.C17H22F3N3O3S.C15H19Cl2N3.C15H21N3O2.C12H21N3.C6H10O3/c1-10(2)15-14-12(18)9-13(17(22)23-3)19-16(14)21(20-15)11-7-5-4-6-8-11;1-10(2)15-14-13(26-27(24,25)17(18,19)20)9-11(3)21-16(14)23(22-15)12-7-5-4-6-8-12;1-9(2)14-13-11(16)8-12(17)18-15(13)20(19-14)10-6-4-3-5-7-10;1-9(2)14-13-11(19)8-12(20)16-15(13)18(17-14)10-6-4-3-5-7-10;1-9(2)11-8-12(13)15(14-11)10-6-4-3-5-7-10;1-3-9-6(8)4-5(2)7/h9-11H,4-8H2,1-3H3;9-10,12H,4-8H2,1-3H3;8-10H,3-7H2,1-2H3;8-10H,3-7H2,1-2H3,(H2,16,19,20);8-10H,3-7,13H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate?
1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 1666.34 g/mol, XLogP of 21.14, 16 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-hydroxy-3-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one;(1-cyclohexyl-6-methyl-3-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl) trifluoromethanesulfonate;1-cyclohexyl-3-propan-2-ylpyrazol-5-amine;4,6-dichloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine;ethyl 3-oxobutanoate;methyl 4-chloro-1-cyclohexyl-3-propan-2-ylpyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 160709423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).