1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol

C24H24N4O — CID 44539387

IUPAC1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1
InChIInChI=1S/C24H24N4O/c1-24(29,18-8-3-2-4-9-18)19-12-10-16(11-13-19)20-21-22(25)26-14-15-28(21)23(27-20)17-6-5-7-17/h2-4,8-15,17,29H,5-7H2,1H3,(H2,25,26)
InChIKeyXWOIODNHNDODBG-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.50
Rot. Bonds4

About 1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol

1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol (PubChem CID 44539387) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol.

Molecular Properties

Compound Name1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol
PubChem CID44539387
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1
InChIInChI=1S/C24H24N4O/c1-24(29,18-8-3-2-4-9-18)19-12-10-16(11-13-19)20-21-22(25)26-14-15-28(21)23(27-20)17-6-5-7-17/h2-4,8-15,17,29H,5-7H2,1H3,(H2,25,26)
InChIKeyXWOIODNHNDODBG-UHFFFAOYSA-N
XLogP4.50
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol?
The IUPAC name of 1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol (CID 44539387) is 1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol.
What is the SMILES notation for 1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol?
The canonical SMILES for 1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol is CC(O)(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1.
What is the InChIKey of 1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol?
The InChIKey is XWOIODNHNDODBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-24(29,18-8-3-2-4-9-18)19-12-10-16(11-13-19)20-21-22(25)26-14-15-28(21)23(27-20)17-6-5-7-17/h2-4,8-15,17,29H,5-7H2,1H3,(H2,25,26).
What are the key properties of 1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol?
1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol has a molecular weight of 384.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol is sourced from PubChem (CID 44539387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).