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

C15H22F3N3O2 — CID 128967183

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

[3-[[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol (PubChem CID 128967183) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is [3-[[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

• Compound Name: [3-[[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol
• PubChem CID: 128967183
• Molecular Formula: C15H22F3N3O2
• Molecular Weight: 333.35 g/mol
• Exact Mass: 333.17
• IUPAC Name: [3-[[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol
• SMILES: CN(CC1CCc2nc(C(F)(F)F)cn2C1)CC1(CO)COC1
• InChI: InChI=1S/C15H22F3N3O2/c1-20(7-14(8-22)9-23-10-14)4-11-2-3-13-19-12(15(16,17)18)6-21(13)5-11/h6,11,22H,2-5,7-10H2,1H3
• InChIKey: AUGRUBRGLMLGPQ-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 50.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.35
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-[[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol?

The IUPAC name of [3-[[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol (CID 128967183) is [3-[[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol.

What is the SMILES notation for [3-[[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol?

The canonical SMILES for [3-[[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol is CN(CC1CCc2nc(C(F)(F)F)cn2C1)CC1(CO)COC1.

What is the InChIKey of [3-[[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol?

The InChIKey is AUGRUBRGLMLGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2/c1-20(7-14(8-22)9-23-10-14)4-11-2-3-13-19-12(15(16,17)18)6-21(13)5-11/h6,11,22H,2-5,7-10H2,1H3.

What are the key properties of [3-[[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol?

[3-[[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol has a molecular weight of 333.35 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 128967183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).