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

C16H26F3N3O2 — CID 128968038

IUPAC1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H26F3N3O2/c1-11(2)24-10-13(23)8-21(3)6-12-4-5-15-20-14(16(17,18)19)9-22(15)7-12/h9,11-13,23H,4-8,10H2,1-3H3
InChIKeyVAJYEUMALCDAHS-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.18
Rot. Bonds7

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

1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol (PubChem CID 128968038) has the molecular formula C16H26F3N3O2 and a molecular weight of 349.40 g/mol. Its IUPAC name is 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
PubChem CID128968038
Molecular FormulaC16H26F3N3O2
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC Name1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CN(C)CC1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H26F3N3O2/c1-11(2)24-10-13(23)8-21(3)6-12-4-5-15-20-14(16(17,18)19)9-22(15)7-12/h9,11-13,23H,4-8,10H2,1-3H3
InChIKeyVAJYEUMALCDAHS-UHFFFAOYSA-N
XLogP2.18
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-propan-2-yloxypropan-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
1-[1-[4-(4,4-Difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol
CID 156287958
1-[1-[3-(4,4-Difluoropiperidin-1-yl)but-3-enyl]-4-methylimidazol-2-yl]-2,2,2-trifluoroethanol;ethane
CID 156730965
1-[1-[4-(4,4-Difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane
CID 156730979
[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
1-Ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol
CID 128966847
[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-(oxan-4-yloxy)propan-2-ol
CID 128973336
4-[[3-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]oxan-4-ol
CID 128978662

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 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) is 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CN(C)CC1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is VAJYEUMALCDAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N3O2/c1-11(2)24-10-13(23)8-21(3)6-12-4-5-15-20-14(16(17,18)19)9-22(15)7-12/h9,11-13,23H,4-8,10H2,1-3H3.
What are the key properties of 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol?
1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 349.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 128968038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).