1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide

C16H17F3N4O2 — CID 129002338

IUPAC1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)cc1=O
InChIInChI=1S/C16H17F3N4O2/c1-22-5-4-11(6-14(22)24)15(25)20-7-10-2-3-13-21-12(16(17,18)19)9-23(13)8-10/h4-6,9-10H,2-3,7-8H2,1H3,(H,20,25)
InChIKeyHEGBHZFWMZGGGE-UHFFFAOYSA-N
MW354.33 g/mol
LogP1.59
Rot. Bonds3

About 1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide

1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide (PubChem CID 129002338) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide
PubChem CID129002338
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)cc1=O
InChIInChI=1S/C16H17F3N4O2/c1-22-5-4-11(6-14(22)24)15(25)20-7-10-2-3-13-21-12(16(17,18)19)9-23(13)8-10/h4-6,9-10H,2-3,7-8H2,1H3,(H,20,25)
InChIKeyHEGBHZFWMZGGGE-UHFFFAOYSA-N
XLogP1.59
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide (CID 129002338) is 1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide is Cn1ccc(C(=O)NCC2CCc3nc(C(F)(F)F)cn3C2)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide?
The InChIKey is HEGBHZFWMZGGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-22-5-4-11(6-14(22)24)15(25)20-7-10-2-3-13-21-12(16(17,18)19)9-23(13)8-10/h4-6,9-10H,2-3,7-8H2,1H3,(H,20,25).
What are the key properties of 1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide?
1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 129002338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).