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

C14H20F3N3O — CID 129333931

IUPAC(2S,3S)-2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine
SMILESC[C@@H]1OCC[C@@H]1NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H20F3N3O/c1-9-11(4-5-21-9)18-6-10-2-3-13-19-12(14(15,16)17)8-20(13)7-10/h8-11,18H,2-7H2,1H3/t9-,10-,11-/m0/s1
InChIKeyGMCACEDVTRHXPC-DCAQKATOSA-N
MW303.33 g/mol
LogP2.23
Rot. Bonds3

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

(2S,3S)-2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine (PubChem CID 129333931) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is (2S,3S)-2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine
PubChem CID129333931
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name(2S,3S)-2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine
SMILESC[C@@H]1OCC[C@@H]1NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C14H20F3N3O/c1-9-11(4-5-21-9)18-6-10-2-3-13-19-12(14(15,16)17)8-20(13)7-10/h8-11,18H,2-7H2,1H3/t9-,10-,11-/m0/s1
InChIKeyGMCACEDVTRHXPC-DCAQKATOSA-N
XLogP2.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

8-(Methoxymethyl)-2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 156532943
2-Butan-2-yl-1-(oxan-4-yl)-4-(trifluoromethyl)imidazole
CID 172585428
methyl({[2-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,2-a]pyridin-6-yl]methyl})amine
CID 104969996
2-methyl-4-[2-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
CID 121537123
N-methyl-1-[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 124680535
N-methyl-1-[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 124680536
(2R)-2-methyl-4-[2-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
CID 124733897
(2R)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
CID 124733898
(2S)-2-methyl-4-[2-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
CID 124733899
(2S)-2-methyl-4-[2-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]ethyl]morpholine
CID 124733900
1-Ethoxy-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]propan-2-ol
CID 128966847
2-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 128967137

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine?
The IUPAC name of (2S,3S)-2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine (CID 129333931) is (2S,3S)-2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine.
What is the SMILES notation for (2S,3S)-2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine?
The canonical SMILES for (2S,3S)-2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine is C[C@@H]1OCC[C@@H]1NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of (2S,3S)-2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine?
The InChIKey is GMCACEDVTRHXPC-DCAQKATOSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-9-11(4-5-21-9)18-6-10-2-3-13-19-12(14(15,16)17)8-20(13)7-10/h8-11,18H,2-7H2,1H3/t9-,10-,11-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine?
(2S,3S)-2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine has a molecular weight of 303.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 129333931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).