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

C16H14F3N3O — CID 139231983

IUPAC5-phenyl-3-propyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCCn1c(=O)[nH]c2c(C(F)(F)F)cc(-c3ccccc3)nc21
InChIInChI=1S/C16H14F3N3O/c1-2-8-22-14-13(21-15(22)23)11(16(17,18)19)9-12(20-14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,21,23)
InChIKeyQXHKAEMUHBTWJZ-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.82
Rot. Bonds3

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

5-phenyl-3-propyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 139231983) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 5-phenyl-3-propyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name5-phenyl-3-propyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID139231983
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name5-phenyl-3-propyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one
SMILESCCCn1c(=O)[nH]c2c(C(F)(F)F)cc(-c3ccccc3)nc21
InChIInChI=1S/C16H14F3N3O/c1-2-8-22-14-13(21-15(22)23)11(16(17,18)19)9-12(20-14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,21,23)
InChIKeyQXHKAEMUHBTWJZ-UHFFFAOYSA-N
XLogP3.82
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 49856296
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CID 11150373
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CID 13936969
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CID 4153551
CID 4153551
CID 56672556
CID 56672556
CID 56672557
CID 56672557
CID 16764115
CID 16764115
CID 910567
CID 910567
CID 5487388
CID 5487388
CID 5492217
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CID 9816506
CID 9816506

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-propyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 5-phenyl-3-propyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one (CID 139231983) is 5-phenyl-3-propyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 5-phenyl-3-propyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 5-phenyl-3-propyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one is CCCn1c(=O)[nH]c2c(C(F)(F)F)cc(-c3ccccc3)nc21.
What is the InChIKey of 5-phenyl-3-propyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is QXHKAEMUHBTWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c1-2-8-22-14-13(21-15(22)23)11(16(17,18)19)9-12(20-14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,21,23).
What are the key properties of 5-phenyl-3-propyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one?
5-phenyl-3-propyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 321.30 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-propyl-7-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 139231983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).