1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol

C15H24F3N3O2 — CID 128966847

IUPAC1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol
SMILESCCOCC(O)CN(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H24F3N3O2/c1-3-23-10-12(22)8-20(2)6-11-4-5-14-19-13(15(16,17)18)9-21(14)7-11/h9,11-12,22H,3-8,10H2,1-2H3
InChIKeyWEBCWQFLQPKHBR-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.79
Rot. Bonds7

About 1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol

1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol (PubChem CID 128966847) has the molecular formula C15H24F3N3O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol
PubChem CID128966847
Molecular FormulaC15H24F3N3O2
Molecular Weight335.37 g/mol
Exact Mass335.18
IUPAC Name1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol
SMILESCCOCC(O)CN(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H24F3N3O2/c1-3-23-10-12(22)8-20(2)6-11-4-5-14-19-13(15(16,17)18)9-21(14)7-11/h9,11-12,22H,3-8,10H2,1-2H3
InChIKeyWEBCWQFLQPKHBR-UHFFFAOYSA-N
XLogP1.79
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol with MolForge

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Related Compounds

(2S)-1-propan-2-yloxy-3-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol
CID 136585887
(2S)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-2-ol
CID 137957329
1-[1-[4-(4,4-Difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol
CID 156287958
8-(Methoxymethyl)-2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 156532943
1-[1-[4-(4,4-Difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane
CID 156730979
[2-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methanol
CID 163390492
[6-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]methanol
CID 170973352
3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ol
CID 105458338
3-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ol
CID 105458339
1-[(2-methylpropan-2-yl)oxy]-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-2-ol
CID 111462712
[3-[[Methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol
CID 128967183
1-[Methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 128968038

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol?
The IUPAC name of 1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol (CID 128966847) is 1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol?
The canonical SMILES for 1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol is CCOCC(O)CN(C)CC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol?
The InChIKey is WEBCWQFLQPKHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O2/c1-3-23-10-12(22)8-20(2)6-11-4-5-14-19-13(15(16,17)18)9-21(14)7-11/h9,11-12,22H,3-8,10H2,1-2H3.
What are the key properties of 1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol?
1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol has a molecular weight of 335.37 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol is sourced from PubChem (CID 128966847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).