WHTZPEZUEYTQGT-FIBGUPNXSA-N

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

C₂₆H₂₁F₄N₃O₅ — CID 154645118

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

IUPAC4-[[4-(cyclopenten-1-yl)-2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide

SMILES[2H]C([2H])([2H])Oc1cc(OC(F)(F)F)ccc1Oc1cc(C2=CCCC2)cc(F)c1C(=O)Nc1ccnc(C(N)=O)c1

InChIInChI=1S/C26H21F4N3O5/c1-36-21-13-17(38-26(28,29)30)6-7-20(21)37-22-11-15(14-4-2-3-5-14)10-18(27)23(22)25(35)33-16-8-9-32-19(12-16)24(31)34/h4,6-13H,2-3,5H2,1H3,(H2,31,34)(H,32,33,35)/i1D3

InChIKeyWHTZPEZUEYTQGT-FIBGUPNXSA-N

MW534.48 g/mol

LogP5.84

Rot. Bonds9

About WHTZPEZUEYTQGT-FIBGUPNXSA-N

WHTZPEZUEYTQGT-FIBGUPNXSA-N (PubChem CID 154645118) has the molecular formula C₂₆H₂₁F₄N₃O₅ and a molecular weight of 534.48 g/mol. Its IUPAC name is 4-[[4-(cyclopenten-1-yl)-2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name	WHTZPEZUEYTQGT-FIBGUPNXSA-N
PubChem CID	154645118
Molecular Formula	C₂₆H₂₁F₄N₃O₅
Molecular Weight	534.48 g/mol
Exact Mass	534.16
IUPAC Name	4-[[4-(cyclopenten-1-yl)-2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide
SMILES	[2H]C([2H])([2H])Oc1cc(OC(F)(F)F)ccc1Oc1cc(C2=CCCC2)cc(F)c1C(=O)Nc1ccnc(C(N)=O)c1
InChI	InChI=1S/C26H21F4N3O5/c1-36-21-13-17(38-26(28,29)30)6-7-20(21)37-22-11-15(14-4-2-3-5-14)10-18(27)23(22)25(35)33-16-8-9-32-19(12-16)24(31)34/h4,6-13H,2-3,5H2,1H3,(H2,31,34)(H,32,33,35)/i1D3
InChIKey	WHTZPEZUEYTQGT-FIBGUPNXSA-N
XLogP	5.84
TPSA	112.77 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	9
Heavy Atoms	38
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.48
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of WHTZPEZUEYTQGT-FIBGUPNXSA-N?

The IUPAC name of WHTZPEZUEYTQGT-FIBGUPNXSA-N (CID 154645118) is 4-[[4-(cyclopenten-1-yl)-2-fluoro-6-[2-(trideuteriomethoxy)-4-(trifluoromethoxy)phenoxy]benzoyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for WHTZPEZUEYTQGT-FIBGUPNXSA-N?

The canonical SMILES for WHTZPEZUEYTQGT-FIBGUPNXSA-N is [2H]C([2H])([2H])Oc1cc(OC(F)(F)F)ccc1Oc1cc(C2=CCCC2)cc(F)c1C(=O)Nc1ccnc(C(N)=O)c1.

What is the InChIKey of WHTZPEZUEYTQGT-FIBGUPNXSA-N?

The InChIKey is WHTZPEZUEYTQGT-FIBGUPNXSA-N. The full InChI is InChI=1S/C26H21F4N3O5/c1-36-21-13-17(38-26(28,29)30)6-7-20(21)37-22-11-15(14-4-2-3-5-14)10-18(27)23(22)25(35)33-16-8-9-32-19(12-16)24(31)34/h4,6-13H,2-3,5H2,1H3,(H2,31,34)(H,32,33,35)/i1D3.

What are the key properties of WHTZPEZUEYTQGT-FIBGUPNXSA-N?

WHTZPEZUEYTQGT-FIBGUPNXSA-N has a molecular weight of 534.48 g/mol, XLogP of 5.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for WHTZPEZUEYTQGT-FIBGUPNXSA-N is sourced from PubChem (CID 154645118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154645118 — identifiers, structure, computed properties (public domain)

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