2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde

C23H19FN4O — CID 87657013

IUPAC2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc(-c4ccccc4C=O)cc3F)c12
InChIInChI=1S/C23H19FN4O/c24-19-12-15(17-7-2-1-4-16(17)13-29)8-9-18(19)20-21-22(25)26-10-11-28(21)23(27-20)14-5-3-6-14/h1-2,4,7-14H,3,5-6H2,(H2,25,26)
InChIKeyFEZCWYLKLSKGGG-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.86
Rot. Bonds4

About 2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde

2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde (PubChem CID 87657013) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde.

Molecular Properties

Compound Name2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde
PubChem CID87657013
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde
SMILESNc1nccn2c(C3CCC3)nc(-c3ccc(-c4ccccc4C=O)cc3F)c12
InChIInChI=1S/C23H19FN4O/c24-19-12-15(17-7-2-1-4-16(17)13-29)8-9-18(19)20-21-22(25)26-10-11-28(21)23(27-20)14-5-3-6-14/h1-2,4,7-14H,3,5-6H2,(H2,25,26)
InChIKeyFEZCWYLKLSKGGG-UHFFFAOYSA-N
XLogP4.86
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyclobutyl-1-[2-fluoro-4-(1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 143899191
[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-phenylmethanone
CID 44539284
3-cyclobutyl-1-[4-[(2,3-difluorophenyl)methyl]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 70921906
3-cyclobutyl-1-(3-phenylquinoxalin-6-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11560235
3-cyclohexyl-1-(2-pyridin-2-ylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 68899663
3-cyclobutyl-1-[3-[(2-phenylphenyl)methoxy]phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 67416927
3-cyclobutyl-1-(2-phenylethenyl)imidazo[1,5-a]pyrazin-8-amine
CID 68711191
1-(1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;ethane
CID 143469317
3-cyclobutyl-1-(4-methyl-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 11718383
3-cyclobutyl-1-(1-hydroxy-2-phenyl-2H-quinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 152504832
3-cyclobutyl-1-(3-nitro-4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine
CID 44539191
4-[8-amino-3-[(1R)-3-aminocyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)-3-fluorobenzamide
CID 145114206

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde?
The IUPAC name of 2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde (CID 87657013) is 2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde.
What is the SMILES notation for 2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde?
The canonical SMILES for 2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde is Nc1nccn2c(C3CCC3)nc(-c3ccc(-c4ccccc4C=O)cc3F)c12.
What is the InChIKey of 2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde?
The InChIKey is FEZCWYLKLSKGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c24-19-12-15(17-7-2-1-4-16(17)13-29)8-9-18(19)20-21-22(25)26-10-11-28(21)23(27-20)14-5-3-6-14/h1-2,4,7-14H,3,5-6H2,(H2,25,26).
What are the key properties of 2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde?
2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde has a molecular weight of 386.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-3-fluorophenyl]benzaldehyde is sourced from PubChem (CID 87657013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).