2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one

C16H12F3N3O2 — CID 58345646

IUPAC2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=c1ccc2nc(C3CC3)n(-c3ccccc3OC(F)(F)F)c2[nH]1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)24-12-4-2-1-3-11(12)22-14(9-5-6-9)20-10-7-8-13(23)21-15(10)22/h1-4,7-9H,5-6H2,(H,21,23)
InChIKeyDXTFYENQTZMESI-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.49
Rot. Bonds3

About 2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one

2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 58345646) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID58345646
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC Name2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=c1ccc2nc(C3CC3)n(-c3ccccc3OC(F)(F)F)c2[nH]1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)24-12-4-2-1-3-11(12)22-14(9-5-6-9)20-10-7-8-13(23)21-15(10)22/h1-4,7-9H,5-6H2,(H,21,23)
InChIKeyDXTFYENQTZMESI-UHFFFAOYSA-N
XLogP3.49
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(trifluoromethoxy)phenyl]imidazolidin-2-one
CID 115370438
(3R)-3-methyl-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-2,5-dione
CID 6925391
2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole
CID 118095555
4-[8-methoxy-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)phenyl]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
CID 70663944
3-cyclopropyl-4-(2-ethoxyphenyl)-1H-1,2,4-triazol-5-one
CID 50970762
ethane;4-propan-2-yl-1-[2-(trifluoromethoxy)phenyl]piperidine
CID 176552586
5-oxo-1-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712596
3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-one
CID 64521913
2-methyl-7-piperidin-4-yl-3-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018580
1-methyl-4-[2-(trifluoromethoxy)phenyl]piperazine
CID 167238583
4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055
2,5-diethyl-1-[2-(trifluoromethoxy)phenyl]piperazine
CID 64930411

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of 2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one (CID 58345646) is 2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one is O=c1ccc2nc(C3CC3)n(-c3ccccc3OC(F)(F)F)c2[nH]1.
What is the InChIKey of 2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is DXTFYENQTZMESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-16(18,19)24-12-4-2-1-3-11(12)22-14(9-5-6-9)20-10-7-8-13(23)21-15(10)22/h1-4,7-9H,5-6H2,(H,21,23).
What are the key properties of 2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one?
2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 335.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 58345646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).