7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C14H18FN3O — CID 163059698

IUPAC7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1CC2CN(Cc3ccc(F)cc3)CCN2C1=O
InChIInChI=1S/C14H18FN3O/c1-16-9-13-10-17(6-7-18(13)14(16)19)8-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3
InChIKeyWILMULALURBDKQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.38
Rot. Bonds2

About 7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 163059698) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID163059698
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCN1CC2CN(Cc3ccc(F)cc3)CCN2C1=O
InChIInChI=1S/C14H18FN3O/c1-16-9-13-10-17(6-7-18(13)14(16)19)8-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3
InChIKeyWILMULALURBDKQ-UHFFFAOYSA-N
XLogP1.38
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(8aR)-2-cyclohexyl-7-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537121
7-[(3-methoxyphenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 162801184
(8aR)-2-[(4-fluorophenyl)methyl]-7-[(6-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537096
(8aR)-2-methyl-7-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537104
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
3-benzyl-7-methyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a][1,5]benzodiazepine
CID 67001528
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
(8aS)-7-[(2R)-3-(4-fluorophenyl)sulfonyl-2-methylpropanoyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 100700485
7-[(4-hydroxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82974652
(3aS,6aS)-5-[(4-fluorophenyl)methyl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 169122987
(8aR)-2-benzyl-7-[(4-methylsulfonylphenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75368585
(3R)-1-[(4-fluorophenyl)methyl]-3-methylpiperidine
CID 51531587

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 163059698) is 7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is CN1CC2CN(Cc3ccc(F)cc3)CCN2C1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is WILMULALURBDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-16-9-13-10-17(6-7-18(13)14(16)19)8-11-2-4-12(15)5-3-11/h2-5,13H,6-10H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 263.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 163059698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).