SEQTXPUMRZSIQK-UHFFFAOYSA-N

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

C₂₄H₁₆ClF₉N₄O₂ — CID 153431448

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]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide

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

InChIInChI=1S/C24H16ClF9N4O2/c25-15-8-13(7-14(9-15)23(29,30)31)21(24(32,33)34)10-16(37-40-21)1-2-17-3-4-18(19-11-35-12-38(17)19)20(39)36-6-5-22(26,27)28/h1-4,7-9,11-12H,5-6,10H2,(H,36,39)

InChIKeySEQTXPUMRZSIQK-UHFFFAOYSA-N

MW598.85 g/mol

LogP6.94

Rot. Bonds6

About SEQTXPUMRZSIQK-UHFFFAOYSA-N

SEQTXPUMRZSIQK-UHFFFAOYSA-N (PubChem CID 153431448) has the molecular formula C₂₄H₁₆ClF₉N₄O₂ and a molecular weight of 598.85 g/mol. Its IUPAC name is 5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name	SEQTXPUMRZSIQK-UHFFFAOYSA-N
PubChem CID	153431448
Molecular Formula	C₂₄H₁₆ClF₉N₄O₂
Molecular Weight	598.85 g/mol
Exact Mass	598.08
IUPAC Name	5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide
SMILES	O=C(NCCC(F)(F)F)c1ccc(C=CC2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)n2cncc12
InChI	InChI=1S/C24H16ClF9N4O2/c25-15-8-13(7-14(9-15)23(29,30)31)21(24(32,33)34)10-16(37-40-21)1-2-17-3-4-18(19-11-35-12-38(17)19)20(39)36-6-5-22(26,27)28/h1-4,7-9,11-12H,5-6,10H2,(H,36,39)
InChIKey	SEQTXPUMRZSIQK-UHFFFAOYSA-N
XLogP	6.94
TPSA	67.99 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	40
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.85
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of SEQTXPUMRZSIQK-UHFFFAOYSA-N (CID 153431448) is 5-[2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]ethenyl]-N-(3,3,3-trifluoropropyl)imidazo[1,5-a]pyridine-8-carboxamide.

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

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

What is the InChIKey of SEQTXPUMRZSIQK-UHFFFAOYSA-N?

The InChIKey is SEQTXPUMRZSIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF9N4O2/c25-15-8-13(7-14(9-15)23(29,30)31)21(24(32,33)34)10-16(37-40-21)1-2-17-3-4-18(19-11-35-12-38(17)19)20(39)36-6-5-22(26,27)28/h1-4,7-9,11-12H,5-6,10H2,(H,36,39).

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

SEQTXPUMRZSIQK-UHFFFAOYSA-N has a molecular weight of 598.85 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for SEQTXPUMRZSIQK-UHFFFAOYSA-N is sourced from PubChem (CID 153431448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 153431448 — identifiers, structure, computed properties (public domain)

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