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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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).