5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one

C19H16F3N3O — CID 139231950

IUPAC5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
SMILESC#CCn1c(=O)n(CCC)c2nc(-c3ccccc3)cc(C(F)(F)F)c21
InChIInChI=1S/C19H16F3N3O/c1-3-10-24-16-14(19(20,21)22)12-15(13-8-6-5-7-9-13)23-17(16)25(11-4-2)18(24)26/h1,5-9,12H,4,10-11H2,2H3
InChIKeyWJRWQUNWPMUVQV-UHFFFAOYSA-N
MW359.35 g/mol
LogP3.93
Rot. Bonds4

About 5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one

5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 139231950) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID139231950
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one
SMILESC#CCn1c(=O)n(CCC)c2nc(-c3ccccc3)cc(C(F)(F)F)c21
InChIInChI=1S/C19H16F3N3O/c1-3-10-24-16-14(19(20,21)22)12-15(13-8-6-5-7-9-13)23-17(16)25(11-4-2)18(24)26/h1,5-9,12H,4,10-11H2,2H3
InChIKeyWJRWQUNWPMUVQV-UHFFFAOYSA-N
XLogP3.93
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one (CID 139231950) is 5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one is C#CCn1c(=O)n(CCC)c2nc(-c3ccccc3)cc(C(F)(F)F)c21.
What is the InChIKey of 5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is WJRWQUNWPMUVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-3-10-24-16-14(19(20,21)22)12-15(13-8-6-5-7-9-13)23-17(16)25(11-4-2)18(24)26/h1,5-9,12H,4,10-11H2,2H3.
What are the key properties of 5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one?
5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 359.35 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-propyl-1-prop-2-ynyl-7-(trifluoromethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 139231950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).