2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C14H13F3N4O2 — CID 56748124

IUPAC2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cnc2n1CCCC2)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)9-5-4-8(12(22)19-9)13(23)20-11-7-18-10-3-1-2-6-21(10)11/h4-5,7H,1-3,6H2,(H,19,22)(H,20,23)
InChIKeyNGSZKMZHQXZJDM-UHFFFAOYSA-N
MW326.28 g/mol
LogP2.18
Rot. Bonds2

About 2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 56748124) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID56748124
Molecular FormulaC14H13F3N4O2
Molecular Weight326.28 g/mol
Exact Mass326.10
IUPAC Name2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cnc2n1CCCC2)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H13F3N4O2/c15-14(16,17)9-5-4-8(12(22)19-9)13(23)20-11-7-18-10-3-1-2-6-21(10)11/h4-5,7H,1-3,6H2,(H,19,22)(H,20,23)
InChIKeyNGSZKMZHQXZJDM-UHFFFAOYSA-N
XLogP2.18
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 56748124) is 2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(Nc1cnc2n1CCCC2)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is NGSZKMZHQXZJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-14(16,17)9-5-4-8(12(22)19-9)13(23)20-11-7-18-10-3-1-2-6-21(10)11/h4-5,7H,1-3,6H2,(H,19,22)(H,20,23).
What are the key properties of 2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 326.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56748124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).