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

C23H16F3N3O3 — CID 67217224

IUPAC3-fluoro-5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)O)cc(F)c3C)c(F)c12
InChIInChI=1S/C23H16F3N3O3/c1-11-16(9-13(23(31)32)10-17(11)25)15-7-8-29-21(19(15)26)18(22(30)27-2)20(28-29)12-3-5-14(24)6-4-12/h3-10H,1-2H3,(H,27,30)(H,31,32)
InChIKeyRHZKDAXGUPYSPJ-UHFFFAOYSA-N
MW439.39 g/mol
LogP4.45
Rot. Bonds4

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

3-fluoro-5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid (PubChem CID 67217224) has the molecular formula C23H16F3N3O3 and a molecular weight of 439.39 g/mol. Its IUPAC name is 3-fluoro-5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-fluoro-5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid
PubChem CID67217224
Molecular FormulaC23H16F3N3O3
Molecular Weight439.39 g/mol
Exact Mass439.11
IUPAC Name3-fluoro-5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)O)cc(F)c3C)c(F)c12
InChIInChI=1S/C23H16F3N3O3/c1-11-16(9-13(23(31)32)10-17(11)25)15-7-8-29-21(19(15)26)18(22(30)27-2)20(28-29)12-3-5-14(24)6-4-12/h3-10H,1-2H3,(H,27,30)(H,31,32)
InChIKeyRHZKDAXGUPYSPJ-UHFFFAOYSA-N
XLogP4.45
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid?
The IUPAC name of 3-fluoro-5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid (CID 67217224) is 3-fluoro-5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid.
What is the SMILES notation for 3-fluoro-5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid?
The canonical SMILES for 3-fluoro-5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid is CNC(=O)c1c(-c2ccc(F)cc2)nn2ccc(-c3cc(C(=O)O)cc(F)c3C)c(F)c12.
What is the InChIKey of 3-fluoro-5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid?
The InChIKey is RHZKDAXGUPYSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O3/c1-11-16(9-13(23(31)32)10-17(11)25)15-7-8-29-21(19(15)26)18(22(30)27-2)20(28-29)12-3-5-14(24)6-4-12/h3-10H,1-2H3,(H,27,30)(H,31,32).
What are the key properties of 3-fluoro-5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid?
3-fluoro-5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid has a molecular weight of 439.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[4-fluoro-2-(4-fluorophenyl)-3-(methylcarbamoyl)pyrazolo[1,5-a]pyridin-5-yl]-4-methylbenzoic acid is sourced from PubChem (CID 67217224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).