7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one

C21H21FN4O3 — CID 155520197

IUPAC7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one
SMILESC/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)n2cncc2c1=O
InChIInChI=1S/C21H21FN4O3/c1-2-3-6-25-13-19(26-14-23-12-18(26)21(25)28)15-4-5-16(17(22)11-15)20(27)24-7-9-29-10-8-24/h2-5,11-14H,6-10H2,1H3/b3-2+
InChIKeyQSDMFZZGRFTCSX-NSCUHMNNSA-N
MW396.42 g/mol
LogP2.35
Rot. Bonds4

About 7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one

7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one (PubChem CID 155520197) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one
PubChem CID155520197
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one
SMILESC/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)n2cncc2c1=O
InChIInChI=1S/C21H21FN4O3/c1-2-3-6-25-13-19(26-14-23-12-18(26)21(25)28)15-4-5-16(17(22)11-15)20(27)24-7-9-29-10-8-24/h2-5,11-14H,6-10H2,1H3/b3-2+
InChIKeyQSDMFZZGRFTCSX-NSCUHMNNSA-N
XLogP2.35
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one (CID 155520197) is 7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one is C/C=C/Cn1cc(-c2ccc(C(=O)N3CCOCC3)c(F)c2)n2cncc2c1=O.
What is the InChIKey of 7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one?
The InChIKey is QSDMFZZGRFTCSX-NSCUHMNNSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-2-3-6-25-13-19(26-14-23-12-18(26)21(25)28)15-4-5-16(17(22)11-15)20(27)24-7-9-29-10-8-24/h2-5,11-14H,6-10H2,1H3/b3-2+.
What are the key properties of 7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one?
7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one has a molecular weight of 396.42 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-but-2-enyl]-5-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 155520197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).