2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide

C16H23F3N4O2 — CID 131685471

IUPAC2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@@H]1OC[C@H]2CN(Cc3ncc(C(F)(F)F)[nH]3)CC[C@H]21
InChIInChI=1S/C16H23F3N4O2/c1-22(2)15(24)5-12-11-3-4-23(7-10(11)9-25-12)8-14-20-6-13(21-14)16(17,18)19/h6,10-12H,3-5,7-9H2,1-2H3,(H,20,21)/t10-,11-,12+/m1/s1
InChIKeyNYPOQYIZAULTQX-UTUOFQBUSA-N
MW360.38 g/mol
LogP1.74
Rot. Bonds4

About 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide

2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 131685471) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
PubChem CID131685471
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C[C@@H]1OC[C@H]2CN(Cc3ncc(C(F)(F)F)[nH]3)CC[C@H]21
InChIInChI=1S/C16H23F3N4O2/c1-22(2)15(24)5-12-11-3-4-23(7-10(11)9-25-12)8-14-20-6-13(21-14)16(17,18)19/h6,10-12H,3-5,7-9H2,1-2H3,(H,20,21)/t10-,11-,12+/m1/s1
InChIKeyNYPOQYIZAULTQX-UTUOFQBUSA-N
XLogP1.74
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

(3S)-N-[[1-[(5-methyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 164633301
(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]hexanamide
CID 118888254
(2-hydroxycyclopentyl)-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
CID 110015961
[(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,2-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide
CID 128971744
2-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide
CID 129006358
(2S,3R)-N,2-dimethyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide
CID 129328518
(2S,3R)-N,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide
CID 129328519
(2S,3S)-N,2-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxolane-3-carboxamide
CID 129328520

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide (CID 131685471) is 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)C[C@@H]1OC[C@H]2CN(Cc3ncc(C(F)(F)F)[nH]3)CC[C@H]21.
What is the InChIKey of 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide?
The InChIKey is NYPOQYIZAULTQX-UTUOFQBUSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-22(2)15(24)5-12-11-3-4-23(7-10(11)9-25-12)8-14-20-6-13(21-14)16(17,18)19/h6,10-12H,3-5,7-9H2,1-2H3,(H,20,21)/t10-,11-,12+/m1/s1.
What are the key properties of 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide?
2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 360.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3aR,7aR)-5-[[5-(trifluoromethyl)-1H-imidazol-2-yl]methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 131685471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).