7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline

C31H32N6 — CID 143120587

IUPAC7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
SMILESCc1nccn2c(C3CC(N4CCN(C)CC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C31H32N6/c1-21-30-29(24-9-8-23-10-11-27(33-28(23)20-24)22-6-4-3-5-7-22)34-31(37(30)13-12-32-21)25-18-26(19-25)36-16-14-35(2)15-17-36/h3-13,20,25-26H,14-19H2,1-2H3
InChIKeyBUZOZBZMENATFO-UHFFFAOYSA-N
MW488.64 g/mol
LogP5.41
Rot. Bonds4

About 7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline

7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline (PubChem CID 143120587) has the molecular formula C31H32N6 and a molecular weight of 488.64 g/mol. Its IUPAC name is 7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline.

Molecular Properties

Compound Name7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
PubChem CID143120587
Molecular FormulaC31H32N6
Molecular Weight488.64 g/mol
Exact Mass488.27
IUPAC Name7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
SMILESCc1nccn2c(C3CC(N4CCN(C)CC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C31H32N6/c1-21-30-29(24-9-8-23-10-11-27(33-28(23)20-24)22-6-4-3-5-7-22)34-31(37(30)13-12-32-21)25-18-26(19-25)36-16-14-35(2)15-17-36/h3-13,20,25-26H,14-19H2,1-2H3
InChIKeyBUZOZBZMENATFO-UHFFFAOYSA-N
XLogP5.41
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.64
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-phenylquinolin-7-yl)-3-[3-(4-sulfanylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 163615088
1-(4-methoxy-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 71763143
1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 58023045
3-[3-(diethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(dimethylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;3-[3-(4-ethylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 160638646
4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]-N,N-dimethylpiperazine-1-carboxamide;(3R)-1-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]pyrrolidin-3-ol;(3S)-1-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]pyrrolidin-3-ol
CID 161145921
7-[8-chloro-7-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-8H-imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline
CID 130348840
ethane;1-(8-fluoro-2-phenylquinolin-7-yl)-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
CID 143120632
3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-(trideuteriomethyl)cyclobutan-1-ol
CID 52915009
3-[3-(azetidin-1-ylmethyl)cyclobutyl]-N-methyl-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143701228
3-[3-(dipropylamino)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 71095809
3-[3-(nitrosomethyl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495204
3-[3-[ethenyl(ethyl)amino]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
CID 143495280

Frequently Asked Questions

What is the IUPAC name of 7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline?
The IUPAC name of 7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline (CID 143120587) is 7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline.
What is the SMILES notation for 7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline?
The canonical SMILES for 7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline is Cc1nccn2c(C3CC(N4CCN(C)CC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline?
The InChIKey is BUZOZBZMENATFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6/c1-21-30-29(24-9-8-23-10-11-27(33-28(23)20-24)22-6-4-3-5-7-22)34-31(37(30)13-12-32-21)25-18-26(19-25)36-16-14-35(2)15-17-36/h3-13,20,25-26H,14-19H2,1-2H3.
What are the key properties of 7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline?
7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline has a molecular weight of 488.64 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[8-methyl-3-[3-(4-methylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-1-yl]-2-phenylquinoline is sourced from PubChem (CID 143120587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).