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

C15H22F3N3O2 — CID 129330491

IUPAC[3-[[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol
SMILESCN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)CC1(CO)COC1
InChIInChI=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/t11-/m1/s1
InChIKeyAUGRUBRGLMLGPQ-LLVKDONJSA-N
MW333.35 g/mol
LogP1.40
Rot. Bonds5

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

[3-[[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol (PubChem CID 129330491) has the molecular formula C15H22F3N3O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is [3-[[methyl-[[(6R)-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-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol
PubChem CID129330491
Molecular FormulaC15H22F3N3O2
Molecular Weight333.35 g/mol
Exact Mass333.17
IUPAC Name[3-[[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol
SMILESCN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)CC1(CO)COC1
InChIInChI=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/t11-/m1/s1
InChIKeyAUGRUBRGLMLGPQ-LLVKDONJSA-N
XLogP1.40
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[methyl-[[(6R)-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-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol (CID 129330491) is [3-[[methyl-[[(6R)-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-[[(6R)-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-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol is CN(C[C@H]1CCc2nc(C(F)(F)F)cn2C1)CC1(CO)COC1.
What is the InChIKey of [3-[[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol?
The InChIKey is AUGRUBRGLMLGPQ-LLVKDONJSA-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/t11-/m1/s1.
What are the key properties of [3-[[methyl-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]methyl]oxetan-3-yl]methanol?
[3-[[methyl-[[(6R)-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-[[(6R)-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 129330491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).