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

C75H76Cl5N12O9P — CID 158327195

IUPAC3-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
SMILESCCOC(=O)CC(C)=O.COC(=O)c1cc(Cl)c2c(C3CCC3)nn(-c3ccccc3)c2n1.Nc1cc(C2CCC2)nn1-c1ccccc1.O=P(Cl)(Cl)Oc1ccccc1.O=c1cc(O)c2c(C3CCC3)nn(-c3ccccc3)c2[nH]1.[H]/N=C(/c1c(Cl)cc(Cl)nc1Nc1ccccc1)C1CCC1
InChIInChI=1S/C18H16ClN3O2.C16H15Cl2N3.C16H15N3O2.C13H15N3.C6H5Cl2O2P.C6H10O3/c1-24-18(23)14-10-13(19)15-16(11-6-5-7-11)21-22(17(15)20-14)12-8-3-2-4-9-12;17-12-9-13(18)21-16(20-11-7-2-1-3-8-11)14(12)15(19)10-5-4-6-10;20-12-9-13(21)17-16-14(12)15(10-5-4-6-10)18-19(16)11-7-2-1-3-8-11;14-13-9-12(10-5-4-6-10)15-16(13)11-7-2-1-3-8-11;7-11(8,9)10-6-4-2-1-3-5-6;1-3-9-6(8)4-5(2)7/h2-4,8-11H,5-7H2,1H3;1-3,7-10,19H,4-6H2,(H,20,21);1-3,7-10H,4-6H2,(H2,17,20,21);1-3,7-10H,4-6,14H2;1-5H;3-4H2,1-2H3/b;19-15+;;;;
InChIKeyGPOCAOKCWHAFFK-XSPJGMABSA-N
MW1497.75 g/mol
LogP19.02
Rot. Bonds16

About 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

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 (PubChem CID 158327195) has the molecular formula C75H76Cl5N12O9P and a molecular weight of 1497.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID158327195
Molecular FormulaC75H76Cl5N12O9P
Molecular Weight1497.75 g/mol
Exact Mass1494.40
IUPAC Name3-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
SMILESCCOC(=O)CC(C)=O.COC(=O)c1cc(Cl)c2c(C3CCC3)nn(-c3ccccc3)c2n1.Nc1cc(C2CCC2)nn1-c1ccccc1.O=P(Cl)(Cl)Oc1ccccc1.O=c1cc(O)c2c(C3CCC3)nn(-c3ccccc3)c2[nH]1.[H]/N=C(/c1c(Cl)cc(Cl)nc1Nc1ccccc1)C1CCC1
InChIInChI=1S/C18H16ClN3O2.C16H15Cl2N3.C16H15N3O2.C13H15N3.C6H5Cl2O2P.C6H10O3/c1-24-18(23)14-10-13(19)15-16(11-6-5-7-11)21-22(17(15)20-14)12-8-3-2-4-9-12;17-12-9-13(18)21-16(20-11-7-2-1-3-8-11)14(12)15(19)10-5-4-6-10;20-12-9-13(21)17-16-14(12)15(10-5-4-6-10)18-19(16)11-7-2-1-3-8-11;14-13-9-12(10-5-4-6-10)15-16(13)11-7-2-1-3-8-11;7-11(8,9)10-6-4-2-1-3-5-6;1-3-9-6(8)4-5(2)7/h2-4,8-11H,5-7H2,1H3;1-3,7-10,19H,4-6H2,(H,20,21);1-3,7-10H,4-6H2,(H2,17,20,21);1-3,7-10H,4-6,14H2;1-5H;3-4H2,1-2H3/b;19-15+;;;;
InChIKeyGPOCAOKCWHAFFK-XSPJGMABSA-N
XLogP19.02
TPSA290.20 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001497.75
LogP ≤ 519.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)CC(C)=O.COC(=O)c1cc(Cl)c2c(C3CCC3)nn(-c3ccccc3)c2n1.Nc1cc(C2CCC2)nn1-c1ccccc1.O=P(Cl)(Cl)Oc1ccccc1.O=c1cc(O)c2c(C3CCC3)nn(-c3ccccc3)c2[nH]1.[H]/N=C(/c1c(Cl)cc(Cl)nc1Nc1ccccc1)C1CCC1.
What is the InChIKey of 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?
The InChIKey is GPOCAOKCWHAFFK-XSPJGMABSA-N. The full InChI is InChI=1S/C18H16ClN3O2.C16H15Cl2N3.C16H15N3O2.C13H15N3.C6H5Cl2O2P.C6H10O3/c1-24-18(23)14-10-13(19)15-16(11-6-5-7-11)21-22(17(15)20-14)12-8-3-2-4-9-12;17-12-9-13(18)21-16(20-11-7-2-1-3-8-11)14(12)15(19)10-5-4-6-10;20-12-9-13(21)17-16-14(12)15(10-5-4-6-10)18-19(16)11-7-2-1-3-8-11;14-13-9-12(10-5-4-6-10)15-16(13)11-7-2-1-3-8-11;7-11(8,9)10-6-4-2-1-3-5-6;1-3-9-6(8)4-5(2)7/h2-4,8-11H,5-7H2,1H3;1-3,7-10,19H,4-6H2,(H,20,21);1-3,7-10H,4-6H2,(H2,17,20,21);1-3,7-10H,4-6,14H2;1-5H;3-4H2,1-2H3/b;19-15+;;;;.
What are the key properties of 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?
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 has a molecular weight of 1497.75 g/mol, XLogP of 19.02, 16 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158327195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).