(8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide

C17H23FN4O2 — CID 75536997

IUPAC(8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1
InChIInChI=1S/C17H23FN4O2/c1-12(2)19-16(23)20-7-8-22-15(10-20)11-21(17(22)24)9-13-3-5-14(18)6-4-13/h3-6,12,15H,7-11H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyGWOSWVYKJQNRNA-OAHLLOKOSA-N
MW334.40 g/mol
LogP1.87
Rot. Bonds3

About (8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide

(8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 75536997) has the molecular formula C17H23FN4O2 and a molecular weight of 334.40 g/mol. Its IUPAC name is (8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name(8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID75536997
Molecular FormulaC17H23FN4O2
Molecular Weight334.40 g/mol
Exact Mass334.18
IUPAC Name(8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1
InChIInChI=1S/C17H23FN4O2/c1-12(2)19-16(23)20-7-8-22-15(10-20)11-21(17(22)24)9-13-3-5-14(18)6-4-13/h3-6,12,15H,7-11H2,1-2H3,(H,19,23)/t15-/m1/s1
InChIKeyGWOSWVYKJQNRNA-OAHLLOKOSA-N
XLogP1.87
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of (8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 75536997) is (8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for (8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for (8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide is CC(C)NC(=O)N1CCN2C(=O)N(Cc3ccc(F)cc3)C[C@H]2C1.
What is the InChIKey of (8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is GWOSWVYKJQNRNA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-12(2)19-16(23)20-7-8-22-15(10-20)11-21(17(22)24)9-13-3-5-14(18)6-4-13/h3-6,12,15H,7-11H2,1-2H3,(H,19,23)/t15-/m1/s1.
What are the key properties of (8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
(8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-[(4-fluorophenyl)methyl]-3-oxo-N-propan-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 75536997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).