(3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine

C13H18F3N3O — CID 129335524

IUPAC(3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine
SMILESFC(F)(F)c1cn2c(n1)CC[C@H](CN[C@H]1CCOC1)C2
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)11-7-19-6-9(1-2-12(19)18-11)5-17-10-3-4-20-8-10/h7,9-10,17H,1-6,8H2/t9-,10+/m1/s1
InChIKeyISWDLTVUVAMRBM-ZJUUUORDSA-N
MW289.30 g/mol
LogP1.84
Rot. Bonds3

About (3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine

(3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine (PubChem CID 129335524) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is (3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine
PubChem CID129335524
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name(3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine
SMILESFC(F)(F)c1cn2c(n1)CC[C@H](CN[C@H]1CCOC1)C2
InChIInChI=1S/C13H18F3N3O/c14-13(15,16)11-7-19-6-9(1-2-12(19)18-11)5-17-10-3-4-20-8-10/h7,9-10,17H,1-6,8H2/t9-,10+/m1/s1
InChIKeyISWDLTVUVAMRBM-ZJUUUORDSA-N
XLogP1.84
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine (CID 129335524) is (3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine is FC(F)(F)c1cn2c(n1)CC[C@H](CN[C@H]1CCOC1)C2.
What is the InChIKey of (3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine?
The InChIKey is ISWDLTVUVAMRBM-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H18F3N3O/c14-13(15,16)11-7-19-6-9(1-2-12(19)18-11)5-17-10-3-4-20-8-10/h7,9-10,17H,1-6,8H2/t9-,10+/m1/s1.
What are the key properties of (3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine?
(3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine has a molecular weight of 289.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 129335524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).