N-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C25H21FN6O — CID 44822906

IUPACN-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccnn3-c3ccc(F)cc3)c3c(C)nn(C)c3n2)cc1
InChIInChI=1S/C25H21FN6O/c1-15-4-6-17(7-5-15)21-14-20(23-16(2)30-31(3)24(23)28-21)25(33)29-22-12-13-27-32(22)19-10-8-18(26)9-11-19/h4-14H,1-3H3,(H,29,33)
InChIKeySAUHATGVBOLLJD-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.83
Rot. Bonds4

About N-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 44822906) has the molecular formula C25H21FN6O and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID44822906
Molecular FormulaC25H21FN6O
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC NameN-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccnn3-c3ccc(F)cc3)c3c(C)nn(C)c3n2)cc1
InChIInChI=1S/C25H21FN6O/c1-15-4-6-17(7-5-15)21-14-20(23-16(2)30-31(3)24(23)28-21)25(33)29-22-12-13-27-32(22)19-10-8-18(26)9-11-19/h4-14H,1-3H3,(H,29,33)
InChIKeySAUHATGVBOLLJD-UHFFFAOYSA-N
XLogP4.83
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46436643
N-(1-ethyl-5-methylpyrazol-4-yl)-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821435
N-(2,5-dimethylphenyl)-6-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821562
6-(4-fluorophenyl)-3-methyl-N-(1,3,5-trimethylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315000
N-(2-bromo-4-fluorophenyl)-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 51118093
N-(4-fluoro-2-methylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609443
1,3-dimethyl-6-phenyl-N-(5-phenylpyrimidin-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 146090748
6-(furan-2-yl)-1,3-dimethyl-N-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609317
N-(2,4-difluorophenyl)-1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32738959
1,3-dimethyl-N-[4-(4-methylpyrimidin-2-yl)phenyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166207441
1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 16782401
N-(3-chlorophenyl)-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166199194

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 44822906) is N-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccnn3-c3ccc(F)cc3)c3c(C)nn(C)c3n2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SAUHATGVBOLLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O/c1-15-4-6-17(7-5-15)21-14-20(23-16(2)30-31(3)24(23)28-21)25(33)29-22-12-13-27-32(22)19-10-8-18(26)9-11-19/h4-14H,1-3H3,(H,29,33).
What are the key properties of N-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)pyrazol-3-yl]-1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44822906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).