[4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol

C28H26FN5O — CID 53319268

IUPAC[4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
SMILESNc1nccn2c(C3CCC(CO)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12
InChIInChI=1S/C28H26FN5O/c29-23-21(12-10-19-11-13-22(32-24(19)23)18-4-2-1-3-5-18)25-26-27(30)31-14-15-34(26)28(33-25)20-8-6-17(16-35)7-9-20/h1-5,10-15,17,20,35H,6-9,16H2,(H2,30,31)
InChIKeyDBVAFYOHTCCGQW-UHFFFAOYSA-N
MW467.55 g/mol
LogP5.60
Rot. Bonds4

About [4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol

[4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol (PubChem CID 53319268) has the molecular formula C28H26FN5O and a molecular weight of 467.55 g/mol. Its IUPAC name is [4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
PubChem CID53319268
Molecular FormulaC28H26FN5O
Molecular Weight467.55 g/mol
Exact Mass467.21
IUPAC Name[4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
SMILESNc1nccn2c(C3CCC(CO)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12
InChIInChI=1S/C28H26FN5O/c29-23-21(12-10-19-11-13-22(32-24(19)23)18-4-2-1-3-5-18)25-26-27(30)31-14-15-34(26)28(33-25)20-8-6-17(16-35)7-9-20/h1-5,10-15,17,20,35H,6-9,16H2,(H2,30,31)
InChIKeyDBVAFYOHTCCGQW-UHFFFAOYSA-N
XLogP5.60
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol?
The IUPAC name of [4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol (CID 53319268) is [4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol.
What is the SMILES notation for [4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol?
The canonical SMILES for [4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol is Nc1nccn2c(C3CCC(CO)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3F)c12.
What is the InChIKey of [4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol?
The InChIKey is DBVAFYOHTCCGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O/c29-23-21(12-10-19-11-13-22(32-24(19)23)18-4-2-1-3-5-18)25-26-27(30)31-14-15-34(26)28(33-25)20-8-6-17(16-35)7-9-20/h1-5,10-15,17,20,35H,6-9,16H2,(H2,30,31).
What are the key properties of [4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol?
[4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol has a molecular weight of 467.55 g/mol, XLogP of 5.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol is sourced from PubChem (CID 53319268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).