(2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one

C10H15F3N2O2 — CID 132555185

IUPAC(2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESC[C@@H]1CN2C(=O)C[C@@](O)(C(F)(F)F)C[C@]2(C)N1
InChIInChI=1S/C10H15F3N2O2/c1-6-4-15-7(16)3-9(17,10(11,12)13)5-8(15,2)14-6/h6,14,17H,3-5H2,1-2H3/t6-,8-,9+/m1/s1
InChIKeyBUQUZSSKUWTPKU-VDAHYXPESA-N
MW252.24 g/mol
LogP0.61
Rot. Bonds

About (2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one

(2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one (PubChem CID 132555185) has the molecular formula C10H15F3N2O2 and a molecular weight of 252.24 g/mol. Its IUPAC name is (2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one.

Molecular Properties

Compound Name(2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one
PubChem CID132555185
Molecular FormulaC10H15F3N2O2
Molecular Weight252.24 g/mol
Exact Mass252.11
IUPAC Name(2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one
SMILESC[C@@H]1CN2C(=O)C[C@@](O)(C(F)(F)F)C[C@]2(C)N1
InChIInChI=1S/C10H15F3N2O2/c1-6-4-15-7(16)3-9(17,10(11,12)13)5-8(15,2)14-6/h6,14,17H,3-5H2,1-2H3/t6-,8-,9+/m1/s1
InChIKeyBUQUZSSKUWTPKU-VDAHYXPESA-N
XLogP0.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one
CID 2880692
(2R,5S)-2-tert-butyl-5-hydroxy-2-methyl-5-(trifluoromethyl)oxolan-3-one
CID 699731
5-hydroxy-3-methoxy-3-methyl-5-(trifluoromethyl)pyrrolidin-2-one
CID 12008124
2,2-difluoro-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 130667579
3,5-dimethyl-1-(trifluoromethyl)cyclohexan-1-ol
CID 64737726
(3-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
CID 166513714
[(3S)-3-methylpiperazin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone;hydrochloride
CID 166513712
ethane;1-ethyl-4-hydroxy-4-methylpiperidine-2,6-dione
CID 143012313
tert-butyl (2S)-1,2,4-trimethyl-6-oxo-1,3-diazinane-2-carboxylate
CID 151926495
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 65121939
bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl formate;4-(trifluoromethyl)piperidin-4-ol
CID 174428984
(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-one
CID 101211008

Frequently Asked Questions

What is the IUPAC name of (2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one?
The IUPAC name of (2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one (CID 132555185) is (2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one.
What is the SMILES notation for (2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one?
The canonical SMILES for (2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one is C[C@@H]1CN2C(=O)C[C@@](O)(C(F)(F)F)C[C@]2(C)N1.
What is the InChIKey of (2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one?
The InChIKey is BUQUZSSKUWTPKU-VDAHYXPESA-N. The full InChI is InChI=1S/C10H15F3N2O2/c1-6-4-15-7(16)3-9(17,10(11,12)13)5-8(15,2)14-6/h6,14,17H,3-5H2,1-2H3/t6-,8-,9+/m1/s1.
What are the key properties of (2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one?
(2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one has a molecular weight of 252.24 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R,8aR)-7-hydroxy-2,8a-dimethyl-7-(trifluoromethyl)-2,3,6,8-tetrahydro-1H-imidazo[1,2-a]pyridin-5-one is sourced from PubChem (CID 132555185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).