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

C17H19FN4OS — CID 75537090

IUPAC(8aR)-2-[(4-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3nccs3)CCN12
InChIInChI=1S/C17H19FN4OS/c18-14-3-1-13(2-4-14)9-21-11-15-10-20(6-7-22(15)17(21)23)12-16-19-5-8-24-16/h1-5,8,15H,6-7,9-12H2/t15-/m1/s1
InChIKeyPPNHZGOEJWRDBN-OAHLLOKOSA-N
MW346.43 g/mol
LogP2.40
Rot. Bonds4

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

(8aR)-2-[(4-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75537090) has the molecular formula C17H19FN4OS and a molecular weight of 346.43 g/mol. Its IUPAC name is (8aR)-2-[(4-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-2-[(4-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75537090
Molecular FormulaC17H19FN4OS
Molecular Weight346.43 g/mol
Exact Mass346.13
IUPAC Name(8aR)-2-[(4-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3nccs3)CCN12
InChIInChI=1S/C17H19FN4OS/c18-14-3-1-13(2-4-14)9-21-11-15-10-20(6-7-22(15)17(21)23)12-16-19-5-8-24-16/h1-5,8,15H,6-7,9-12H2/t15-/m1/s1
InChIKeyPPNHZGOEJWRDBN-OAHLLOKOSA-N
XLogP2.40
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (8aR)-2-[(4-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-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-(1,3-thiazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-2-[(4-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75537090) is (8aR)-2-[(4-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-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-(1,3-thiazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-2-[(4-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(Cc3nccs3)CCN12.
What is the InChIKey of (8aR)-2-[(4-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is PPNHZGOEJWRDBN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19FN4OS/c18-14-3-1-13(2-4-14)9-21-11-15-10-20(6-7-22(15)17(21)23)12-16-19-5-8-24-16/h1-5,8,15H,6-7,9-12H2/t15-/m1/s1.
What are the key properties of (8aR)-2-[(4-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-2-[(4-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 346.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-[(4-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75537090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).