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

C21H21ClN4O2 — CID 155544211

IUPAC7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one
SMILESC/C=C/Cn1cc(-c2ccc(C(=O)N3CCCC3)c(Cl)c2)n2cncc2c1=O
InChIInChI=1S/C21H21ClN4O2/c1-2-3-8-25-13-19(26-14-23-12-18(26)21(25)28)15-6-7-16(17(22)11-15)20(27)24-9-4-5-10-24/h2-3,6-7,11-14H,4-5,8-10H2,1H3/b3-2+
InChIKeyAIBWHLPAXOKFER-NSCUHMNNSA-N
MW396.88 g/mol
LogP3.63
Rot. Bonds4

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

7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one (PubChem CID 155544211) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is 7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one
PubChem CID155544211
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC Name7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one
SMILESC/C=C/Cn1cc(-c2ccc(C(=O)N3CCCC3)c(Cl)c2)n2cncc2c1=O
InChIInChI=1S/C21H21ClN4O2/c1-2-3-8-25-13-19(26-14-23-12-18(26)21(25)28)15-6-7-16(17(22)11-15)20(27)24-9-4-5-10-24/h2-3,6-7,11-14H,4-5,8-10H2,1H3/b3-2+
InChIKeyAIBWHLPAXOKFER-NSCUHMNNSA-N
XLogP3.63
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one (CID 155544211) is 7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one is C/C=C/Cn1cc(-c2ccc(C(=O)N3CCCC3)c(Cl)c2)n2cncc2c1=O.
What is the InChIKey of 7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one?
The InChIKey is AIBWHLPAXOKFER-NSCUHMNNSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-2-3-8-25-13-19(26-14-23-12-18(26)21(25)28)15-6-7-16(17(22)11-15)20(27)24-9-4-5-10-24/h2-3,6-7,11-14H,4-5,8-10H2,1H3/b3-2+.
What are the key properties of 7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one?
7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one has a molecular weight of 396.88 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(E)-but-2-enyl]-5-[3-chloro-4-(pyrrolidine-1-carbonyl)phenyl]imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 155544211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).