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

C32H26FN5O2 — CID 71763142

IUPAC3-[8-amino-1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(c2nc(-c3ccc4c(Oc5ccccc5)cc(-c5ccccc5)nc4c3F)c3c(N)nccn23)C1
InChIInChI=1S/C32H26FN5O2/c1-32(39)17-20(18-32)31-37-28(29-30(34)35-14-15-38(29)31)23-13-12-22-25(40-21-10-6-3-7-11-21)16-24(36-27(22)26(23)33)19-8-4-2-5-9-19/h2-16,20,39H,17-18H2,1H3,(H2,34,35)
InChIKeyALHCKZGNDIODOK-UHFFFAOYSA-N
MW531.59 g/mol
LogP6.75
Rot. Bonds5

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

3-[8-amino-1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (PubChem CID 71763142) has the molecular formula C32H26FN5O2 and a molecular weight of 531.59 g/mol. Its IUPAC name is 3-[8-amino-1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[8-amino-1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
PubChem CID71763142
Molecular FormulaC32H26FN5O2
Molecular Weight531.59 g/mol
Exact Mass531.21
IUPAC Name3-[8-amino-1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(c2nc(-c3ccc4c(Oc5ccccc5)cc(-c5ccccc5)nc4c3F)c3c(N)nccn23)C1
InChIInChI=1S/C32H26FN5O2/c1-32(39)17-20(18-32)31-37-28(29-30(34)35-14-15-38(29)31)23-13-12-22-25(40-21-10-6-3-7-11-21)16-24(36-27(22)26(23)33)19-8-4-2-5-9-19/h2-16,20,39H,17-18H2,1H3,(H2,34,35)
InChIKeyALHCKZGNDIODOK-UHFFFAOYSA-N
XLogP6.75
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.59
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[8-amino-1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol (CID 71763142) is 3-[8-amino-1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[8-amino-1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[8-amino-1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is CC1(O)CC(c2nc(-c3ccc4c(Oc5ccccc5)cc(-c5ccccc5)nc4c3F)c3c(N)nccn23)C1.
What is the InChIKey of 3-[8-amino-1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
The InChIKey is ALHCKZGNDIODOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN5O2/c1-32(39)17-20(18-32)31-37-28(29-30(34)35-14-15-38(29)31)23-13-12-22-25(40-21-10-6-3-7-11-21)16-24(36-27(22)26(23)33)19-8-4-2-5-9-19/h2-16,20,39H,17-18H2,1H3,(H2,34,35).
What are the key properties of 3-[8-amino-1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol?
3-[8-amino-1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol has a molecular weight of 531.59 g/mol, XLogP of 6.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 71763142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).