JAKDICIOTSABEG-UHFFFAOYSA-N

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

C₂₂H₁₇F₃N₄O₂ — CID 15951486

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

IUPAC2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one

SMILESCN1C(=O)C(c2ccncc2)(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)N=C1N

InChIInChI=1S/C22H17F3N4O2/c1-29-19(30)21(28-20(29)26,16-8-10-27-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(13-15)31-22(23,24)25/h2-13H,1H3,(H2,26,28)

InChIKeyJAKDICIOTSABEG-UHFFFAOYSA-N

MW426.40 g/mol

LogP3.68

Rot. Bonds4

About JAKDICIOTSABEG-UHFFFAOYSA-N

JAKDICIOTSABEG-UHFFFAOYSA-N (PubChem CID 15951486) has the molecular formula C₂₂H₁₇F₃N₄O₂ and a molecular weight of 426.40 g/mol. Its IUPAC name is 2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one.

Molecular Properties

Compound Name	JAKDICIOTSABEG-UHFFFAOYSA-N
PubChem CID	15951486
Molecular Formula	C₂₂H₁₇F₃N₄O₂
Molecular Weight	426.40 g/mol
Exact Mass	426.13
IUPAC Name	2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one
SMILES	CN1C(=O)C(c2ccncc2)(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)N=C1N
InChI	InChI=1S/C22H17F3N4O2/c1-29-19(30)21(28-20(29)26,16-8-10-27-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(13-15)31-22(23,24)25/h2-13H,1H3,(H2,26,28)
InChIKey	JAKDICIOTSABEG-UHFFFAOYSA-N
XLogP	3.68
TPSA	80.81 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.40
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of JAKDICIOTSABEG-UHFFFAOYSA-N (CID 15951486) is 2-amino-3-methyl-5-pyridin-4-yl-5-[3-[3-(trifluoromethoxy)phenyl]phenyl]imidazol-4-one.

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

The canonical SMILES for JAKDICIOTSABEG-UHFFFAOYSA-N is CN1C(=O)C(c2ccncc2)(c2cccc(-c3cccc(OC(F)(F)F)c3)c2)N=C1N.

What is the InChIKey of JAKDICIOTSABEG-UHFFFAOYSA-N?

The InChIKey is JAKDICIOTSABEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O2/c1-29-19(30)21(28-20(29)26,16-8-10-27-11-9-16)17-6-2-4-14(12-17)15-5-3-7-18(13-15)31-22(23,24)25/h2-13H,1H3,(H2,26,28).

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

JAKDICIOTSABEG-UHFFFAOYSA-N has a molecular weight of 426.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for JAKDICIOTSABEG-UHFFFAOYSA-N is sourced from PubChem (CID 15951486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 15951486 — identifiers, structure, computed properties (public domain)

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