5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile

C20H12F3N5O — CID 70687352

IUPAC5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(-n2c(=O)n(Cc3ccccc3)c3cccnc32)cc1C(F)(F)F
InChIInChI=1S/C20H12F3N5O/c21-20(22,23)15-9-14(11-26-16(15)10-24)28-18-17(7-4-8-25-18)27(19(28)29)12-13-5-2-1-3-6-13/h1-9,11H,12H2
InChIKeyFREWTQRAJNBJEC-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.52
Rot. Bonds3

About 5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile

5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 70687352) has the molecular formula C20H12F3N5O and a molecular weight of 395.34 g/mol. Its IUPAC name is 5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID70687352
Molecular FormulaC20H12F3N5O
Molecular Weight395.34 g/mol
Exact Mass395.10
IUPAC Name5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(-n2c(=O)n(Cc3ccccc3)c3cccnc32)cc1C(F)(F)F
InChIInChI=1S/C20H12F3N5O/c21-20(22,23)15-9-14(11-26-16(15)10-24)28-18-17(7-4-8-25-18)27(19(28)29)12-13-5-2-1-3-6-13/h1-9,11H,12H2
InChIKeyFREWTQRAJNBJEC-UHFFFAOYSA-N
XLogP3.52
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile (CID 70687352) is 5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(-n2c(=O)n(Cc3ccccc3)c3cccnc32)cc1C(F)(F)F.
What is the InChIKey of 5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is FREWTQRAJNBJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N5O/c21-20(22,23)15-9-14(11-26-16(15)10-24)28-18-17(7-4-8-25-18)27(19(28)29)12-13-5-2-1-3-6-13/h1-9,11H,12H2.
What are the key properties of 5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile?
5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 395.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)-3-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 70687352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).