[(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone

C12H14F4N4O — CID 141192695

IUPAC[(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone
SMILESO=C(c1nc(C(F)(F)F)n2c1CNCC2)N1CC[C@H](F)C1
InChIInChI=1S/C12H14F4N4O/c13-7-1-3-19(6-7)10(21)9-8-5-17-2-4-20(8)11(18-9)12(14,15)16/h7,17H,1-6H2/t7-/m0/s1
InChIKeyMMINIMHHSIONSC-ZETCQYMHSA-N
MW306.26 g/mol
LogP1.19
Rot. Bonds1

About [(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone

[(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone (PubChem CID 141192695) has the molecular formula C12H14F4N4O and a molecular weight of 306.26 g/mol. Its IUPAC name is [(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone
PubChem CID141192695
Molecular FormulaC12H14F4N4O
Molecular Weight306.26 g/mol
Exact Mass306.11
IUPAC Name[(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone
SMILESO=C(c1nc(C(F)(F)F)n2c1CNCC2)N1CC[C@H](F)C1
InChIInChI=1S/C12H14F4N4O/c13-7-1-3-19(6-7)10(21)9-8-5-17-2-4-20(8)11(18-9)12(14,15)16/h7,17H,1-6H2/t7-/m0/s1
InChIKeyMMINIMHHSIONSC-ZETCQYMHSA-N
XLogP1.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-Caffeine-propionamide
CID 64128
Imidazo(1,2-a)pyridine-2,3-dicarboxamide, 5,6,7,8-tetrahydro-N,N'-diethyl-7-methyl-
CID 218310
2-(Trifluoromethyl)-3,6,7,8-tetrahydropurino[9,8-a]pyrrol-4-one
CID 135459503
(5S)-N,N-diethyl-5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 51358882
1-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazin-8-one
CID 126836808
(6R)-N,N-diethyl-6-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 51358883
2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-propylimidazole-4-carboxamide
CID 53181518
N-Isopropyl-2,5-dimethyl-1-(1-methyl-4-piperidinyl)-1H-imidazole-4-carboxamide
CID 53181520
N-cyclopentyl-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
CID 53181523
N-[2-(diethylamino)ethyl]-2,5-dimethyl-1-(1-methylpiperidin-4-yl)imidazole-4-carboxamide
CID 53181555
2,5-dimethyl-1-(1-methyl-4-piperidyl)-N-[3-(1-pyrrolidinyl)propyl]-1H-imidazole-4-carboxamide
CID 53181563
1-(1-Acetyl-4-piperidyl)-N~4~-[2-(dimethylamino)ethyl]-2,5-dimethyl-1H-imidazole-4-carboxamide
CID 53181644

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
The IUPAC name of [(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone (CID 141192695) is [(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone.
What is the SMILES notation for [(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
The canonical SMILES for [(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone is O=C(c1nc(C(F)(F)F)n2c1CNCC2)N1CC[C@H](F)C1.
What is the InChIKey of [(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
The InChIKey is MMINIMHHSIONSC-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14F4N4O/c13-7-1-3-19(6-7)10(21)9-8-5-17-2-4-20(8)11(18-9)12(14,15)16/h7,17H,1-6H2/t7-/m0/s1.
What are the key properties of [(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone?
[(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone has a molecular weight of 306.26 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-fluoropyrrolidin-1-yl]-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]methanone is sourced from PubChem (CID 141192695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).