1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C24H23FN4O — CID 51854062

IUPAC1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCC[C@@H](NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H23FN4O/c1-4-21(17-8-6-5-7-9-17)27-24(30)20-14-15(2)26-23-22(20)16(3)28-29(23)19-12-10-18(25)11-13-19/h5-14,21H,4H2,1-3H3,(H,27,30)/t21-/m1/s1
InChIKeyFXZYUJKBFORSJO-OAQYLSRUSA-N
MW402.47 g/mol
LogP5.06
Rot. Bonds5

About 1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide

1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 51854062) has the molecular formula C24H23FN4O and a molecular weight of 402.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID51854062
Molecular FormulaC24H23FN4O
Molecular Weight402.47 g/mol
Exact Mass402.19
IUPAC Name1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCC[C@@H](NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C24H23FN4O/c1-4-21(17-8-6-5-7-9-17)27-24(30)20-14-15(2)26-23-22(20)16(3)28-29(23)19-12-10-18(25)11-13-19/h5-14,21H,4H2,1-3H3,(H,27,30)/t21-/m1/s1
InChIKeyFXZYUJKBFORSJO-OAQYLSRUSA-N
XLogP5.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-ethylpyrazol-3-yl)ethyl]-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823458
1-(4-fluorophenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854324
3,6-dimethyl-1-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 92687692
N-(2,2-difluoroethyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 17026180
1-(4-fluorophenyl)-3,6-dimethyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823192
3,6-dimethyl-1-phenyl-N-(4-phenylbutan-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863832
N-[(1S)-1-(3-methoxyphenyl)ethyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 51851727
N-(5-chloro-2-methylphenyl)-1-(4-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823272
N-(2-ethylphenyl)-1-(4-ethylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928119
3,6-dimethyl-N-(4-methylphenyl)-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927948
N-[(2-ethoxyphenyl)methyl]-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20927951
N-[1-(4-fluorophenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621030

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 51854062) is 1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide is CC[C@@H](NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is FXZYUJKBFORSJO-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23FN4O/c1-4-21(17-8-6-5-7-9-17)27-24(30)20-14-15(2)26-23-22(20)16(3)28-29(23)19-12-10-18(25)11-13-19/h5-14,21H,4H2,1-3H3,(H,27,30)/t21-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3,6-dimethyl-N-[(1R)-1-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 51854062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).