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

C18H19FN4O — CID 75368566

IUPAC(8aR)-7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(c2ccccn2)C[C@H]2CN(Cc3ccc(F)cc3)CCN12
InChIInChI=1S/C18H19FN4O/c19-15-6-4-14(5-7-15)11-21-9-10-22-16(12-21)13-23(18(22)24)17-3-1-2-8-20-17/h1-8,16H,9-13H2/t16-/m1/s1
InChIKeyKBIFOXOPMIWGCK-MRXNPFEDSA-N
MW326.38 g/mol
LogP2.35
Rot. Bonds3

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

(8aR)-7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75368566) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is (8aR)-7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75368566
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name(8aR)-7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(c2ccccn2)C[C@H]2CN(Cc3ccc(F)cc3)CCN12
InChIInChI=1S/C18H19FN4O/c19-15-6-4-14(5-7-15)11-21-9-10-22-16(12-21)13-23(18(22)24)17-3-1-2-8-20-17/h1-8,16H,9-13H2/t16-/m1/s1
InChIKeyKBIFOXOPMIWGCK-MRXNPFEDSA-N
XLogP2.35
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aR)-7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75368566) is (8aR)-7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C1N(c2ccccn2)C[C@H]2CN(Cc3ccc(F)cc3)CCN12.
What is the InChIKey of (8aR)-7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is KBIFOXOPMIWGCK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19FN4O/c19-15-6-4-14(5-7-15)11-21-9-10-22-16(12-21)13-23(18(22)24)17-3-1-2-8-20-17/h1-8,16H,9-13H2/t16-/m1/s1.
What are the key properties of (8aR)-7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 326.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).