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

C17H24F3N3O2 — CID 129338395

IUPAC(2S,5R)-5-ethyl-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
SMILESCC[C@@H]1CC[C@@H](C(=O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)O1
InChIInChI=1S/C17H24F3N3O2/c1-3-12-5-6-13(25-12)16(24)22(2)8-11-4-7-15-21-14(17(18,19)20)10-23(15)9-11/h10-13H,3-9H2,1-2H3/t11-,12-,13+/m1/s1
InChIKeyULNNVUGJRKGFRG-UPJWGTAASA-N
MW359.39 g/mol
LogP2.88
Rot. Bonds4

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

(2S,5R)-5-ethyl-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide (PubChem CID 129338395) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is (2S,5R)-5-ethyl-N-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,5R)-5-ethyl-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
PubChem CID129338395
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC Name(2S,5R)-5-ethyl-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide
SMILESCC[C@@H]1CC[C@@H](C(=O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)O1
InChIInChI=1S/C17H24F3N3O2/c1-3-12-5-6-13(25-12)16(24)22(2)8-11-4-7-15-21-14(17(18,19)20)10-23(15)9-11/h10-13H,3-9H2,1-2H3/t11-,12-,13+/m1/s1
InChIKeyULNNVUGJRKGFRG-UPJWGTAASA-N
XLogP2.88
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-5-ethyl-N-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

oxolan-2-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 126469231
[(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
N-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxane-2-carboxamide
CID 128966298
N,4-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]morpholine-2-carboxamide
CID 128966473
N-methyl-2-(oxan-2-yl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]acetamide
CID 128966779
2-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 128967137
1-Methyl-3-[1-(oxolan-2-yl)ethyl]-1-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 128970651
N,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide
CID 128971744

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-ethyl-N-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,5R)-5-ethyl-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide (CID 129338395) is (2S,5R)-5-ethyl-N-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,5R)-5-ethyl-N-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,5R)-5-ethyl-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide is CC[C@@H]1CC[C@@H](C(=O)N(C)C[C@H]2CCc3nc(C(F)(F)F)cn3C2)O1.
What is the InChIKey of (2S,5R)-5-ethyl-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide?
The InChIKey is ULNNVUGJRKGFRG-UPJWGTAASA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-3-12-5-6-13(25-12)16(24)22(2)8-11-4-7-15-21-14(17(18,19)20)10-23(15)9-11/h10-13H,3-9H2,1-2H3/t11-,12-,13+/m1/s1.
What are the key properties of (2S,5R)-5-ethyl-N-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-2-carboxamide?
(2S,5R)-5-ethyl-N-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 359.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-ethyl-N-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 129338395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).