TYRZSXNQRHAGBN-UHFFFAOYSA-N

Name: TYRZSXNQRHAGBN-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₁₁F₅N₂O₃ — CID 122529826

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3,5-difluoro-4-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid

SMILESO=C(O)c1cc(F)c(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)c(F)c1

InChIInChI=1S/C22H11F5N2O3/c23-14-9-11(21(31)32)10-15(24)17(14)18-16-7-3-4-8-29(16)20(28-18)19(30)12-5-1-2-6-13(12)22(25,26)27/h1-10H,(H,31,32)

InChIKeyTYRZSXNQRHAGBN-UHFFFAOYSA-N

MW446.33 g/mol

LogP5.23

Rot. Bonds4

About TYRZSXNQRHAGBN-UHFFFAOYSA-N

TYRZSXNQRHAGBN-UHFFFAOYSA-N (PubChem CID 122529826) has the molecular formula C₂₂H₁₁F₅N₂O₃ and a molecular weight of 446.33 g/mol. Its IUPAC name is 3,5-difluoro-4-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid.

Molecular Properties

Compound Name	TYRZSXNQRHAGBN-UHFFFAOYSA-N
PubChem CID	122529826
Molecular Formula	C₂₂H₁₁F₅N₂O₃
Molecular Weight	446.33 g/mol
Exact Mass	446.07
IUPAC Name	3,5-difluoro-4-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid
SMILES	O=C(O)c1cc(F)c(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)c(F)c1
InChI	InChI=1S/C22H11F5N2O3/c23-14-9-11(21(31)32)10-15(24)17(14)18-16-7-3-4-8-29(16)20(28-18)19(30)12-5-1-2-6-13(12)22(25,26)27/h1-10H,(H,31,32)
InChIKey	TYRZSXNQRHAGBN-UHFFFAOYSA-N
XLogP	5.23
TPSA	71.67 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.33
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of TYRZSXNQRHAGBN-UHFFFAOYSA-N?

The IUPAC name of TYRZSXNQRHAGBN-UHFFFAOYSA-N (CID 122529826) is 3,5-difluoro-4-[3-[2-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]benzoic acid.

What is the SMILES notation for TYRZSXNQRHAGBN-UHFFFAOYSA-N?

The canonical SMILES for TYRZSXNQRHAGBN-UHFFFAOYSA-N is O=C(O)c1cc(F)c(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)c(F)c1.

What is the InChIKey of TYRZSXNQRHAGBN-UHFFFAOYSA-N?

The InChIKey is TYRZSXNQRHAGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11F5N2O3/c23-14-9-11(21(31)32)10-15(24)17(14)18-16-7-3-4-8-29(16)20(28-18)19(30)12-5-1-2-6-13(12)22(25,26)27/h1-10H,(H,31,32).

What are the key properties of TYRZSXNQRHAGBN-UHFFFAOYSA-N?

TYRZSXNQRHAGBN-UHFFFAOYSA-N has a molecular weight of 446.33 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for TYRZSXNQRHAGBN-UHFFFAOYSA-N is sourced from PubChem (CID 122529826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 122529826 — identifiers, structure, computed properties (public domain)

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