1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

C36H34FN7O — CID 71763607

IUPAC1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCN1CCN(C2CC(c3nc(-c4ccc5c(Oc6ccccc6)cc(-c6ccccc6)nc5c4F)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C36H34FN7O/c1-42-16-18-43(19-17-42)25-20-24(21-25)36-41-33(34-35(38)39-14-15-44(34)36)28-13-12-27-30(45-26-10-6-3-7-11-26)22-29(40-32(27)31(28)37)23-8-4-2-5-9-23/h2-15,22,24-25H,16-21H2,1H3,(H2,38,39)
InChIKeyOATYZLINYMVFFJ-UHFFFAOYSA-N
MW599.71 g/mol
LogP6.62
Rot. Bonds6

About 1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 71763607) has the molecular formula C36H34FN7O and a molecular weight of 599.71 g/mol. Its IUPAC name is 1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID71763607
Molecular FormulaC36H34FN7O
Molecular Weight599.71 g/mol
Exact Mass599.28
IUPAC Name1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCN1CCN(C2CC(c3nc(-c4ccc5c(Oc6ccccc6)cc(-c6ccccc6)nc5c4F)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C36H34FN7O/c1-42-16-18-43(19-17-42)25-20-24(21-25)36-41-33(34-35(38)39-14-15-44(34)36)28-13-12-27-30(45-26-10-6-3-7-11-26)22-29(40-32(27)31(28)37)23-8-4-2-5-9-23/h2-15,22,24-25H,16-21H2,1H3,(H2,38,39)
InChIKeyOATYZLINYMVFFJ-UHFFFAOYSA-N
XLogP6.62
TPSA84.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.71
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

8-((4-Fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline
CID 25094493
6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-2-(trifluoromethyl)-4H-imidazo[2,1-c][1,4]benzoxazine
CID 46900455
3-[8-Amino-1-(4-ethoxy-8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 71763140
3-[8-Amino-1-(4-methoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 71762923
3-[8-Amino-1-(4-ethoxy-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 71762924
N-(2,6-dimethylphenyl)-5-[3-(1-methylpiperidin-3-ylmethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 11178204
1-(4-(3-(4-benzylpiperidin-1-yl)propoxy)phenyl)-5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazole
CID 11540902
8-[(3S,4S)-3-fluoropiperidin-4-yl]oxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline
CID 25098429
1-(3-(2-Fluorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438860
1-(3-(3-Fluorobenzyloxy)phenyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 44438862
trans-1-(3-(Benzyloxy)phenyl)-3-(4-((diethylamino)methyl)cyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 44438929
cis-1-(3-(Benzyloxy)phenyl)-3-(3-(piperidin-1-ylmethyl)cyclobutyl)imidazo[1,5-a]pyrazin-8-amine
CID 44438933

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (CID 71763607) is 1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is CN1CCN(C2CC(c3nc(-c4ccc5c(Oc6ccccc6)cc(-c6ccccc6)nc5c4F)c4c(N)nccn34)C2)CC1.
What is the InChIKey of 1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is OATYZLINYMVFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34FN7O/c1-42-16-18-43(19-17-42)25-20-24(21-25)36-41-33(34-35(38)39-14-15-44(34)36)28-13-12-27-30(45-26-10-6-3-7-11-26)22-29(40-32(27)31(28)37)23-8-4-2-5-9-23/h2-15,22,24-25H,16-21H2,1H3,(H2,38,39).
What are the key properties of 1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 599.71 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-4-phenoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 71763607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).