N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide

C14H18F3N3O2 — CID 155902540

IUPACN-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide
SMILESO=C(NC1CCc2ncc(C(F)(F)F)n2C1)C1CCOCC1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)11-7-18-12-2-1-10(8-20(11)12)19-13(21)9-3-5-22-6-4-9/h7,9-10H,1-6,8H2,(H,19,21)
InChIKeyWDJRNKLPVKCLBH-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.76
Rot. Bonds2

About N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide

N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide (PubChem CID 155902540) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide
PubChem CID155902540
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide
SMILESO=C(NC1CCc2ncc(C(F)(F)F)n2C1)C1CCOCC1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)11-7-18-12-2-1-10(8-20(11)12)19-13(21)9-3-5-22-6-4-9/h7,9-10H,1-6,8H2,(H,19,21)
InChIKeyWDJRNKLPVKCLBH-UHFFFAOYSA-N
XLogP1.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)butanamide
CID 72124250
2-cyclopropyl-N-[[7-(oxane-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide
CID 97382118
N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 97382126
3-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]piperidine
CID 90488101
N-[2-(1-Cyclooctyl-5-methyl-1H-imidazol-2-YL)ethyl]oxane-4-carboxamide
CID 91911677
4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide
CID 91923574
N-{2-[1-(2-methoxyethyl)-5-methyl-1H-imidazol-2-yl]ethyl}tetrahydro-2H-pyran-4-carboxamide
CID 91923939
N~4~-[2-(1-Isopropyl-5-methyl-1H-imidazol-2-YL)ethyl]tetrahydro-2H-pyran-4-carboxamide
CID 91923972
3-(2,5-Dimethyl-1H-imidazol-1-YL)-1-(oxane-4-carbonyl)piperidine
CID 124046303
1-Cyclopropanecarbonyl-4-{[5-methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]methyl}piperidine
CID 124047014
4-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]-N-propylpiperidine-1-carboxamide
CID 124047213
N-(3-Methoxypropyl)-4-[5-methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]piperidine-1-carboxamide
CID 124047215

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide (CID 155902540) is N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide is O=C(NC1CCc2ncc(C(F)(F)F)n2C1)C1CCOCC1.
What is the InChIKey of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide?
The InChIKey is WDJRNKLPVKCLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c15-14(16,17)11-7-18-12-2-1-10(8-20(11)12)19-13(21)9-3-5-22-6-4-9/h7,9-10H,1-6,8H2,(H,19,21).
What are the key properties of N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide?
N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide is sourced from PubChem (CID 155902540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).