INQCPLNCSGUHBV-UHFFFAOYSA-N

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

C₂₁H₁₂ClF₆N₃O₃ — CID 153431446

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

IUPAC5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid

SMILESO=C(O)c1ccc(C=CC2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cncc12

InChIInChI=1S/C21H12ClF6N3O3/c22-13-6-11(5-12(7-13)20(23,24)25)19(21(26,27)28)8-14(30-34-19)1-2-15-3-4-16(18(32)33)17-9-29-10-31(15)17/h1-7,9-10H,8H2,(H,32,33)

InChIKeyINQCPLNCSGUHBV-UHFFFAOYSA-N

MW503.79 g/mol

LogP5.95

Rot. Bonds4

About INQCPLNCSGUHBV-UHFFFAOYSA-N

INQCPLNCSGUHBV-UHFFFAOYSA-N (PubChem CID 153431446) has the molecular formula C₂₁H₁₂ClF₆N₃O₃ and a molecular weight of 503.79 g/mol. Its IUPAC name is 5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name	INQCPLNCSGUHBV-UHFFFAOYSA-N
PubChem CID	153431446
Molecular Formula	C₂₁H₁₂ClF₆N₃O₃
Molecular Weight	503.79 g/mol
Exact Mass	503.05
IUPAC Name	5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid
SMILES	O=C(O)c1ccc(C=CC2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cncc12
InChI	InChI=1S/C21H12ClF6N3O3/c22-13-6-11(5-12(7-13)20(23,24)25)19(21(26,27)28)8-14(30-34-19)1-2-15-3-4-16(18(32)33)17-9-29-10-31(15)17/h1-7,9-10H,8H2,(H,32,33)
InChIKey	INQCPLNCSGUHBV-UHFFFAOYSA-N
XLogP	5.95
TPSA	76.19 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.79
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of INQCPLNCSGUHBV-UHFFFAOYSA-N (CID 153431446) is 5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid.

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

The canonical SMILES for INQCPLNCSGUHBV-UHFFFAOYSA-N is O=C(O)c1ccc(C=CC2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cncc12.

What is the InChIKey of INQCPLNCSGUHBV-UHFFFAOYSA-N?

The InChIKey is INQCPLNCSGUHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF6N3O3/c22-13-6-11(5-12(7-13)20(23,24)25)19(21(26,27)28)8-14(30-34-19)1-2-15-3-4-16(18(32)33)17-9-29-10-31(15)17/h1-7,9-10H,8H2,(H,32,33).

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

INQCPLNCSGUHBV-UHFFFAOYSA-N has a molecular weight of 503.79 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for INQCPLNCSGUHBV-UHFFFAOYSA-N is sourced from PubChem (CID 153431446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 153431446 — identifiers, structure, computed properties (public domain)

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