7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C14H19FN4O — CID 79091898

IUPAC7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCNCc1ccc(N2CCN3C(=O)NCC3C2)c(F)c1
InChIInChI=1S/C14H19FN4O/c1-16-7-10-2-3-13(12(15)6-10)18-4-5-19-11(9-18)8-17-14(19)20/h2-3,6,11,16H,4-5,7-9H2,1H3,(H,17,20)
InChIKeyQREBIYNPVJWMPU-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.76
Rot. Bonds3

About 7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091898) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is 7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091898
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC Name7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCNCc1ccc(N2CCN3C(=O)NCC3C2)c(F)c1
InChIInChI=1S/C14H19FN4O/c1-16-7-10-2-3-13(12(15)6-10)18-4-5-19-11(9-18)8-17-14(19)20/h2-3,6,11,16H,4-5,7-9H2,1H3,(H,17,20)
InChIKeyQREBIYNPVJWMPU-UHFFFAOYSA-N
XLogP0.76
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

7-[4-(ethylaminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096421
7-[4-(aminomethyl)-2-fluorophenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091384
7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091585
N,N-diethyl-1-[2-fluoro-4-(methylaminomethyl)phenyl]pyrrolidin-3-amine
CID 63164577
7-[4-(ethylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092125
1-[3-fluoro-4-(2-methyl-1,4-oxazepan-4-yl)phenyl]-N-methylmethanamine
CID 62974161
2-amino-4-fluoro-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)benzoic acid
CID 79094464
7-(2-amino-5-bromo-4-fluorophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 116736084
7-(5-amino-2-methylphenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092401
7-(2-amino-5-fluoro-4-iodophenyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091718
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]-N-methylmethanamine
CID 54980972
7-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 106962669

Frequently Asked Questions

What is the IUPAC name of 7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091898) is 7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CNCc1ccc(N2CCN3C(=O)NCC3C2)c(F)c1.
What is the InChIKey of 7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is QREBIYNPVJWMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-16-7-10-2-3-13(12(15)6-10)18-4-5-19-11(9-18)8-17-14(19)20/h2-3,6,11,16H,4-5,7-9H2,1H3,(H,17,20).
What are the key properties of 7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 278.33 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-fluoro-4-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).