3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid

C22H16FN3O3 — CID 59233673

IUPAC3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cccc(C(=O)O)c3)cc12
InChIInChI=1S/C22H16FN3O3/c1-24-21(27)19-18-12-15(14-3-2-4-16(11-14)22(28)29)9-10-26(18)25-20(19)13-5-7-17(23)8-6-13/h2-12H,1H3,(H,24,27)(H,28,29)
InChIKeySSQINHKPYXBXLL-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.87
Rot. Bonds4

About 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid

3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid (PubChem CID 59233673) has the molecular formula C22H16FN3O3 and a molecular weight of 389.39 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid
PubChem CID59233673
Molecular FormulaC22H16FN3O3
Molecular Weight389.39 g/mol
Exact Mass389.12
IUPAC Name3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cccc(C(=O)O)c3)cc12
InChIInChI=1S/C22H16FN3O3/c1-24-21(27)19-18-12-15(14-3-2-4-16(11-14)22(28)29)9-10-26(18)25-20(19)13-5-7-17(23)8-6-13/h2-12H,1H3,(H,24,27)(H,28,29)
InChIKeySSQINHKPYXBXLL-UHFFFAOYSA-N
XLogP3.87
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid?
The IUPAC name of 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid (CID 59233673) is 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid?
The canonical SMILES for 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid is CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cccc(C(=O)O)c3)cc12.
What is the InChIKey of 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid?
The InChIKey is SSQINHKPYXBXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O3/c1-24-21(27)19-18-12-15(14-3-2-4-16(11-14)22(28)29)9-10-26(18)25-20(19)13-5-7-17(23)8-6-13/h2-12H,1H3,(H,24,27)(H,28,29).
What are the key properties of 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid?
3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid has a molecular weight of 389.39 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]benzoic acid is sourced from PubChem (CID 59233673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).