3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide

C21H15F2N3O — CID 67255620

IUPAC3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccn3nc(-c4ccc(F)c(F)c4)cc3c2)c1
InChIInChI=1S/C21H15F2N3O/c1-24-21(27)16-4-2-3-13(9-16)14-7-8-26-17(10-14)12-20(25-26)15-5-6-18(22)19(23)11-15/h2-12H,1H3,(H,24,27)
InChIKeyPDVNYTQFQKICRK-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.31
Rot. Bonds3

About 3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide

3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide (PubChem CID 67255620) has the molecular formula C21H15F2N3O and a molecular weight of 363.37 g/mol. Its IUPAC name is 3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide
PubChem CID67255620
Molecular FormulaC21H15F2N3O
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2ccn3nc(-c4ccc(F)c(F)c4)cc3c2)c1
InChIInChI=1S/C21H15F2N3O/c1-24-21(27)16-4-2-3-13(9-16)14-7-8-26-17(10-14)12-20(25-26)15-5-6-18(22)19(23)11-15/h2-12H,1H3,(H,24,27)
InChIKeyPDVNYTQFQKICRK-UHFFFAOYSA-N
XLogP4.31
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide
CID 86048120
2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227063
3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide
CID 172740220
1-methyl-N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-3-phenylpyrazole-5-carboxamide
CID 139014474
3-imidazo[1,2-b]pyridazin-7-yl-N-methylbenzamide
CID 59443501
3-[6-[2-(4-fluorophenyl)propylamino]pyridazin-3-yl]-N-methylbenzamide
CID 139323711
N-methyl-3-(4-pyrrolidin-1-ylphenyl)benzamide
CID 168513530
3-(4-formamidophenyl)-N-methylbenzamide
CID 168653692
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
CID 16910435
3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide
CID 69438870
N-methyl-3-(3-methylimidazo[1,2-b]pyridazin-6-yl)benzamide
CID 156515455
2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 91011243

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide?
The IUPAC name of 3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide (CID 67255620) is 3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide?
The canonical SMILES for 3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2ccn3nc(-c4ccc(F)c(F)c4)cc3c2)c1.
What is the InChIKey of 3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide?
The InChIKey is PDVNYTQFQKICRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O/c1-24-21(27)16-4-2-3-13(9-16)14-7-8-26-17(10-14)12-20(25-26)15-5-6-18(22)19(23)11-15/h2-12H,1H3,(H,24,27).
What are the key properties of 3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide?
3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide has a molecular weight of 363.37 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide is sourced from PubChem (CID 67255620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).