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

C16H22F3N3O2 — CID 129328521

IUPAC(2S,3S)-N,2-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide
SMILESC[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H22F3N3O2/c1-10-12(5-6-24-10)15(23)21(2)7-11-3-4-14-20-13(16(17,18)19)9-22(14)8-11/h9-12H,3-8H2,1-2H3/t10-,11+,12-/m0/s1
InChIKeyBNIDGKFFCOFMND-TUAOUCFPSA-N
MW345.37 g/mol
LogP2.35
Rot. Bonds3

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

(2S,3S)-N,2-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide (PubChem CID 129328521) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2S,3S)-N,2-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N,2-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide
PubChem CID129328521
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name(2S,3S)-N,2-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide
SMILESC[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C16H22F3N3O2/c1-10-12(5-6-24-10)15(23)21(2)7-11-3-4-14-20-13(16(17,18)19)9-22(14)8-11/h9-12H,3-8H2,1-2H3/t10-,11+,12-/m0/s1
InChIKeyBNIDGKFFCOFMND-TUAOUCFPSA-N
XLogP2.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

3-(2,5-Dimethyl-1H-imidazol-1-YL)-1-(oxane-4-carbonyl)piperidine
CID 124046303
3-Methoxy-1-{3-[(5-methyl-1-propyl-1H-imidazol-2-YL)methyl]piperidin-1-YL}propan-1-one
CID 124052985
3-Methoxy-1-{4-[(5-methyl-1-propyl-1H-imidazol-2-YL)methyl]piperidin-1-YL}propan-1-one
CID 124053126
[4-[2-(2,5-Dimethylimidazol-1-yl)ethyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 124077651
N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide
CID 155902540
N-[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide
CID 155902553
[(1S,2S)-2-methoxycyclopropyl]-[3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 164635232
[4-[(2-cyclopropyl-5-methylimidazol-1-yl)methyl]piperidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 164638541
(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide
CID 118888254
4-cyano-N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-4-carboxamide
CID 128966204
N-methyl-2-(oxolan-3-ylmethoxy)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 128966265
N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide
CID 128966298

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N,2-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N,2-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide (CID 129328521) is (2S,3S)-N,2-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N,2-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N,2-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide is C[C@@H]1OCC[C@@H]1C(=O)N(C)C[C@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of (2S,3S)-N,2-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide?
The InChIKey is BNIDGKFFCOFMND-TUAOUCFPSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-10-12(5-6-24-10)15(23)21(2)7-11-3-4-14-20-13(16(17,18)19)9-22(14)8-11/h9-12H,3-8H2,1-2H3/t10-,11+,12-/m0/s1.
What are the key properties of (2S,3S)-N,2-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide?
(2S,3S)-N,2-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,2-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 129328521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).