1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

C21H17FN4O2 — CID 135686423

IUPAC1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2[nH]cc(C(=O)N(C)c3ccccc3)c(=O)c12
InChIInChI=1S/C21H17FN4O2/c1-13-18-19(27)17(21(28)25(2)15-6-4-3-5-7-15)12-23-20(18)26(24-13)16-10-8-14(22)9-11-16/h3-12H,1-2H3,(H,23,27)
InChIKeyYVTJQMRGGDDCKM-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.44
Rot. Bonds3

About 1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide

1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 135686423) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID135686423
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c2[nH]cc(C(=O)N(C)c3ccccc3)c(=O)c12
InChIInChI=1S/C21H17FN4O2/c1-13-18-19(27)17(21(28)25(2)15-6-4-3-5-7-15)12-23-20(18)26(24-13)16-10-8-14(22)9-11-16/h3-12H,1-2H3,(H,23,27)
InChIKeyYVTJQMRGGDDCKM-UHFFFAOYSA-N
XLogP3.44
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide (CID 135686423) is 1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccc(F)cc2)c2[nH]cc(C(=O)N(C)c3ccccc3)c(=O)c12.
What is the InChIKey of 1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is YVTJQMRGGDDCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-13-18-19(27)17(21(28)25(2)15-6-4-3-5-7-15)12-23-20(18)26(24-13)16-10-8-14(22)9-11-16/h3-12H,1-2H3,(H,23,27).
What are the key properties of 1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide?
1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,3-dimethyl-4-oxo-N-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 135686423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).