7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one

C24H24FN5O — CID 178177157

IUPAC7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one
SMILESC=CCCn1ccc2cc(F)c(-c3nc(C4CC(C)C4)n4ccnc(N)c34)cc2c1=O
InChIInChI=1S/C24H24FN5O/c1-3-4-7-29-8-5-15-12-19(25)18(13-17(15)24(29)31)20-21-22(26)27-6-9-30(21)23(28-20)16-10-14(2)11-16/h3,5-6,8-9,12-14,16H,1,4,7,10-11H2,2H3,(H2,26,27)
InChIKeyWCTCQCKUBQZDDH-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.52
Rot. Bonds5

About 7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one

7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one (PubChem CID 178177157) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one.

Molecular Properties

Compound Name7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one
PubChem CID178177157
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one
SMILESC=CCCn1ccc2cc(F)c(-c3nc(C4CC(C)C4)n4ccnc(N)c34)cc2c1=O
InChIInChI=1S/C24H24FN5O/c1-3-4-7-29-8-5-15-12-19(25)18(13-17(15)24(29)31)20-21-22(26)27-6-9-30(21)23(28-20)16-10-14(2)11-16/h3,5-6,8-9,12-14,16H,1,4,7,10-11H2,2H3,(H2,26,27)
InChIKeyWCTCQCKUBQZDDH-UHFFFAOYSA-N
XLogP4.52
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[8-amino-3-(3-hydroxy-3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-(1-bicyclo[1.1.1]pentanyl)-4-ethoxy-6-fluoroisoquinolin-1-one
CID 178177149
7-[8-amino-3-(3-hydroxy-3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-6-fluoro-4-methoxy-2-phenylisoquinolin-1-one
CID 178177100
fluorocyclohexane;3-(3-methylcyclobutyl)-1-(1-methylidene-2H-isoquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 178177525
2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde
CID 87657013
3-(3-methylcyclobutyl)-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 70905183
7-[8-amino-3-(3-hydroxy-3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]isoquinolin-1-one
CID 178177322
3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 143899191
7-[8-amino-3-(3-hydroxy-3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-[1-(trifluoromethyl)cyclopropyl]isoquinolin-1-one
CID 178177680
7-[8-amino-3-(3-hydroxy-3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-cuban-1-ylisoquinolin-1-one
CID 178177177
7-[8-amino-3-(3-hydroxy-3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-(4,4-difluoro-1-methylcyclohexyl)isoquinolin-1-one
CID 178177505
6-(4-amino-5,7-dihydrofuro[3,4-d]pyrimidin-2-yl)-7-fluoro-2-pentylisoquinolin-1-one
CID 169118547
7-[8-amino-3-(3-hydroxy-3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]isoquinolin-1-one
CID 178177094

Frequently Asked Questions

What is the IUPAC name of 7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one?
The IUPAC name of 7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one (CID 178177157) is 7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one.
What is the SMILES notation for 7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one?
The canonical SMILES for 7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one is C=CCCn1ccc2cc(F)c(-c3nc(C4CC(C)C4)n4ccnc(N)c34)cc2c1=O.
What is the InChIKey of 7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one?
The InChIKey is WCTCQCKUBQZDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-3-4-7-29-8-5-15-12-19(25)18(13-17(15)24(29)31)20-21-22(26)27-6-9-30(21)23(28-20)16-10-14(2)11-16/h3,5-6,8-9,12-14,16H,1,4,7,10-11H2,2H3,(H2,26,27).
What are the key properties of 7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one?
7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one has a molecular weight of 417.49 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-amino-3-(3-methylcyclobutyl)imidazo[1,5-a]pyrazin-1-yl]-2-but-3-enyl-6-fluoroisoquinolin-1-one is sourced from PubChem (CID 178177157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).