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

C15H20F3N3O2 — CID 129002393

IUPAC3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H20F3N3O2/c1-9-4-5-23-13(9)14(22)19-6-10-2-3-12-20-11(15(16,17)18)8-21(12)7-10/h8-10,13H,2-7H2,1H3,(H,19,22)
InChIKeyKOKVALWLYPHZBP-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.01
Rot. Bonds3

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

3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide (PubChem CID 129002393) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
PubChem CID129002393
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H20F3N3O2/c1-9-4-5-23-13(9)14(22)19-6-10-2-3-12-20-11(15(16,17)18)8-21(12)7-10/h8-10,13H,2-7H2,1H3,(H,19,22)
InChIKeyKOKVALWLYPHZBP-UHFFFAOYSA-N
XLogP2.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide (CID 129002393) is 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide is CC1CCOC1C(=O)NCC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide?
The InChIKey is KOKVALWLYPHZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-9-4-5-23-13(9)14(22)19-6-10-2-3-12-20-11(15(16,17)18)8-21(12)7-10/h8-10,13H,2-7H2,1H3,(H,19,22).
What are the key properties of 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide?
3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 129002393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).