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

C15H20F3N3O2 — CID 129332189

IUPAC(2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
SMILESC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H20F3N3O2/c1-9-4-5-23-13(9)14(22)19-6-10-2-3-12-20-11(15(16,17)18)8-21(12)7-10/h8-10,13H,2-7H2,1H3,(H,19,22)/t9-,10+,13+/m1/s1
InChIKeyKOKVALWLYPHZBP-NRUUGDAUSA-N
MW331.34 g/mol
LogP2.01
Rot. Bonds3

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

(2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide (PubChem CID 129332189) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is (2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
PubChem CID129332189
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC Name(2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
SMILESC[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1
InChIInChI=1S/C15H20F3N3O2/c1-9-4-5-23-13(9)14(22)19-6-10-2-3-12-20-11(15(16,17)18)8-21(12)7-10/h8-10,13H,2-7H2,1H3,(H,19,22)/t9-,10+,13+/m1/s1
InChIKeyKOKVALWLYPHZBP-NRUUGDAUSA-N
XLogP2.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86772694
oxolan-2-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 126469231
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
N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97846362
N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97846363
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride
CID 120800939
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 120800940
[(2S,3R)-3-methyloxolan-2-yl]-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 121551314
[(2S,3R)-3-methyloxolan-2-yl]-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 124725259
[(2S,3R)-3-methyloxolan-2-yl]-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 124725260
N-methyl-2-(oxolan-3-ylmethoxy)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 128966265

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide (CID 129332189) is (2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide is C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1.
What is the InChIKey of (2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide?
The InChIKey is KOKVALWLYPHZBP-NRUUGDAUSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-9-4-5-23-13(9)14(22)19-6-10-2-3-12-20-11(15(16,17)18)8-21(12)7-10/h8-10,13H,2-7H2,1H3,(H,19,22)/t9-,10+,13+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide?
(2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 129332189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).