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

C69H65Cl3F4N12O7 — CID 158548646

About 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

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 (PubChem CID 158548646) has the molecular formula C69H65Cl3F4N12O7 and a molecular weight of 1356.71 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158548646
• Molecular Formula: C69H65Cl3F4N12O7
• Molecular Weight: 1356.71 g/mol
• Exact Mass: 1354.41
• IUPAC Name: 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
• SMILES: CCOC(=O)CC(C)=O.COC(=O)c1cc(Cl)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1.Fc1ccc(-n2nc(C3CCC3)c3c(Cl)cc(Cl)nc32)cc1.Nc1cc(C2CCC2)nn1-c1ccc(F)cc1.O=c1cc(O)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2[nH]1
• InChI: InChI=1S/C18H15ClFN3O2.C16H12Cl2FN3.C16H14FN3O2.C13H14FN3.C6H10O3/c1-25-18(24)14-9-13(19)15-16(10-3-2-4-10)22-23(17(15)21-14)12-7-5-11(20)6-8-12;17-12-8-13(18)20-16-14(12)15(9-2-1-3-9)21-22(16)11-6-4-10(19)5-7-11;17-10-4-6-11(7-5-10)20-16-14(12(21)8-13(22)18-16)15(19-20)9-2-1-3-9;14-10-4-6-11(7-5-10)17-13(15)8-12(16-17)9-2-1-3-9;1-3-9-6(8)4-5(2)7/h5-10H,2-4H2,1H3;4-9H,1-3H2;4-9H,1-3H2,(H2,18,21,22);4-9H,1-3,15H2;3-4H2,1-2H3
• InChIKey: HPLCHIBCJFGZMB-UHFFFAOYSA-N
• XLogP: 15.62
• TPSA: 245.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1356.71
LogP ≤ 5	15.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCOC(=O)CC(C)=O.COC(=O)c1cc(Cl)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1.Fc1ccc(-n2nc(C3CCC3)c3c(Cl)cc(Cl)nc32)cc1.Nc1cc(C2CCC2)nn1-c1ccc(F)cc1.O=c1cc(O)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2[nH]1.

What is the InChIKey of 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?

The InChIKey is HPLCHIBCJFGZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2.C16H12Cl2FN3.C16H14FN3O2.C13H14FN3.C6H10O3/c1-25-18(24)14-9-13(19)15-16(10-3-2-4-10)22-23(17(15)21-14)12-7-5-11(20)6-8-12;17-12-8-13(18)20-16-14(12)15(9-2-1-3-9)21-22(16)11-6-4-10(19)5-7-11;17-10-4-6-11(7-5-10)20-16-14(12(21)8-13(22)18-16)15(19-20)9-2-1-3-9;14-10-4-6-11(7-5-10)17-13(15)8-12(16-17)9-2-1-3-9;1-3-9-6(8)4-5(2)7/h5-10H,2-4H2,1H3;4-9H,1-3H2;4-9H,1-3H2,(H2,18,21,22);4-9H,1-3,15H2;3-4H2,1-2H3.

What are the key properties of 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?

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 has a molecular weight of 1356.71 g/mol, XLogP of 15.62, 12 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158548646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).