4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide

C20H15FN4O — CID 108753718

IUPAC4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCc1nn(-c2ccccc2)c2ncc(NC(=O)c3ccc(F)cc3)cc12
InChIInChI=1S/C20H15FN4O/c1-13-18-11-16(23-20(26)14-7-9-15(21)10-8-14)12-22-19(18)25(24-13)17-5-3-2-4-6-17/h2-12H,1H3,(H,23,26)
InChIKeyUBWLVDVDTHEAFZ-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.12
Rot. Bonds3

About 4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide

4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 108753718) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID108753718
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCc1nn(-c2ccccc2)c2ncc(NC(=O)c3ccc(F)cc3)cc12
InChIInChI=1S/C20H15FN4O/c1-13-18-11-16(23-20(26)14-7-9-15(21)10-8-14)12-22-19(18)25(24-13)17-5-3-2-4-6-17/h2-12H,1H3,(H,23,26)
InChIKeyUBWLVDVDTHEAFZ-UHFFFAOYSA-N
XLogP4.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753755
(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 139016323
5-methyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-phenylpyrazole-4-carboxamide
CID 108730123
2,3,6-trichloro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108730037
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 139018825
2-cyclohexyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide
CID 108753753
3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
CID 136587863
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134024964
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide
CID 108730069
2-(furan-2-ylmethyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1,3-dioxoisoindole-5-carboxamide
CID 108730087
4-hydroxy-1-(3-methylphenyl)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-6-oxopyridazine-3-carboxamide
CID 108809208
(2R,5R)-5-methyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)oxolane-2-carboxamide
CID 136587864

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 108753718) is 4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide is Cc1nn(-c2ccccc2)c2ncc(NC(=O)c3ccc(F)cc3)cc12.
What is the InChIKey of 4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is UBWLVDVDTHEAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c1-13-18-11-16(23-20(26)14-7-9-15(21)10-8-14)12-22-19(18)25(24-13)17-5-3-2-4-6-17/h2-12H,1H3,(H,23,26).
What are the key properties of 4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide?
4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 346.37 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 108753718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).