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

C20H23FN4O — CID 75537095

IUPAC(8aR)-2-[(4-fluorophenyl)methyl]-7-[(3-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCc1cccnc1CN1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1
InChIInChI=1S/C20H23FN4O/c1-15-3-2-8-22-19(15)14-23-9-10-25-18(12-23)13-24(20(25)26)11-16-4-6-17(21)7-5-16/h2-8,18H,9-14H2,1H3/t18-/m1/s1
InChIKeyXVODWBBIAKPXIO-GOSISDBHSA-N
MW354.43 g/mol
LogP2.65
Rot. Bonds4

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

(8aR)-2-[(4-fluorophenyl)methyl]-7-[(3-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75537095) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is (8aR)-2-[(4-fluorophenyl)methyl]-7-[(3-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-[(4-fluorophenyl)methyl]-7-[(3-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75537095
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name(8aR)-2-[(4-fluorophenyl)methyl]-7-[(3-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESCc1cccnc1CN1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1
InChIInChI=1S/C20H23FN4O/c1-15-3-2-8-22-19(15)14-23-9-10-25-18(12-23)13-24(20(25)26)11-16-4-6-17(21)7-5-16/h2-8,18H,9-14H2,1H3/t18-/m1/s1
InChIKeyXVODWBBIAKPXIO-GOSISDBHSA-N
XLogP2.65
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-[(4-fluorophenyl)methyl]-7-[(3-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-[(4-fluorophenyl)methyl]-7-[(3-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75537095) is (8aR)-2-[(4-fluorophenyl)methyl]-7-[(3-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-2-[(4-fluorophenyl)methyl]-7-[(3-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-[(4-fluorophenyl)methyl]-7-[(3-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is Cc1cccnc1CN1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1.
What is the InChIKey of (8aR)-2-[(4-fluorophenyl)methyl]-7-[(3-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is XVODWBBIAKPXIO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23FN4O/c1-15-3-2-8-22-19(15)14-23-9-10-25-18(12-23)13-24(20(25)26)11-16-4-6-17(21)7-5-16/h2-8,18H,9-14H2,1H3/t18-/m1/s1.
What are the key properties of (8aR)-2-[(4-fluorophenyl)methyl]-7-[(3-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-[(4-fluorophenyl)methyl]-7-[(3-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 354.43 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-[(4-fluorophenyl)methyl]-7-[(3-methyl-2-pyridinyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75537095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).