methyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate

C21H15FN2O2 — CID 53241232

IUPACmethyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate
SMILESCOC(=O)c1cccc(-c2ccn3nc(-c4ccc(F)cc4)cc3c2)c1
InChIInChI=1S/C21H15FN2O2/c1-26-21(25)17-4-2-3-15(11-17)16-9-10-24-19(12-16)13-20(23-24)14-5-7-18(22)8-6-14/h2-13H,1H3
InChIKeyKORDHIFXVOEGAA-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.59
Rot. Bonds3

About methyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate

methyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate (PubChem CID 53241232) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is methyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate
PubChem CID53241232
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Namemethyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate
SMILESCOC(=O)c1cccc(-c2ccn3nc(-c4ccc(F)cc4)cc3c2)c1
InChIInChI=1S/C21H15FN2O2/c1-26-21(25)17-4-2-3-15(11-17)16-9-10-24-19(12-16)13-20(23-24)14-5-7-18(22)8-6-14/h2-13H,1H3
InChIKeyKORDHIFXVOEGAA-UHFFFAOYSA-N
XLogP4.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate?
The IUPAC name of methyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate (CID 53241232) is methyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate.
What is the SMILES notation for methyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate?
The canonical SMILES for methyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate is COC(=O)c1cccc(-c2ccn3nc(-c4ccc(F)cc4)cc3c2)c1.
What is the InChIKey of methyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate?
The InChIKey is KORDHIFXVOEGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c1-26-21(25)17-4-2-3-15(11-17)16-9-10-24-19(12-16)13-20(23-24)14-5-7-18(22)8-6-14/h2-13H,1H3.
What are the key properties of methyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate?
methyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate has a molecular weight of 346.36 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]benzoate is sourced from PubChem (CID 53241232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).