N-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide

C20H23FN4O — CID 46093274

IUPACN-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCC(C)C(NC(=O)c1nn(-c2ccc(F)cc2)c2ncccc12)C(C)C
InChIInChI=1S/C20H23FN4O/c1-12(2)17(13(3)4)23-20(26)18-16-6-5-11-22-19(16)25(24-18)15-9-7-14(21)8-10-15/h5-13,17H,1-4H3,(H,23,26)
InChIKeyUCYVYXFEOJVILT-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.97
Rot. Bonds5

About N-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide

N-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 46093274) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID46093274
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC NameN-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCC(C)C(NC(=O)c1nn(-c2ccc(F)cc2)c2ncccc12)C(C)C
InChIInChI=1S/C20H23FN4O/c1-12(2)17(13(3)4)23-20(26)18-16-6-5-11-22-19(16)25(24-18)15-9-7-14(21)8-10-15/h5-13,17H,1-4H3,(H,23,26)
InChIKeyUCYVYXFEOJVILT-UHFFFAOYSA-N
XLogP3.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide (CID 46093274) is N-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide is CC(C)C(NC(=O)c1nn(-c2ccc(F)cc2)c2ncccc12)C(C)C.
What is the InChIKey of N-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is UCYVYXFEOJVILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-12(2)17(13(3)4)23-20(26)18-16-6-5-11-22-19(16)25(24-18)15-9-7-14(21)8-10-15/h5-13,17H,1-4H3,(H,23,26).
What are the key properties of N-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide?
N-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 354.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylpentan-3-yl)-1-(4-fluorophenyl)pyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 46093274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).