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

C30H31N7 — CID 45270898

IUPAC1-[8-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2-phenylquinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCN1CCN(C2CC(c3c(-c4ncn5ccnc(N)c45)ccc4ccc(-c5ccccc5)nc34)C2)CC1
InChIInChI=1S/C30H31N7/c1-35-13-15-36(16-14-35)23-17-22(18-23)26-24(28-29-30(31)32-11-12-37(29)19-33-28)9-7-21-8-10-25(34-27(21)26)20-5-3-2-4-6-20/h2-12,19,22-23H,13-18H2,1H3,(H2,31,32)
InChIKeyLHXVJSAPHKTYCV-UHFFFAOYSA-N
MW489.63 g/mol
LogP4.69
Rot. Bonds4

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

1-[8-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2-phenylquinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 45270898) has the molecular formula C30H31N7 and a molecular weight of 489.63 g/mol. Its IUPAC name is 1-[8-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2-phenylquinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-[8-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2-phenylquinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID45270898
Molecular FormulaC30H31N7
Molecular Weight489.63 g/mol
Exact Mass489.26
IUPAC Name1-[8-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2-phenylquinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine
SMILESCN1CCN(C2CC(c3c(-c4ncn5ccnc(N)c45)ccc4ccc(-c5ccccc5)nc34)C2)CC1
InChIInChI=1S/C30H31N7/c1-35-13-15-36(16-14-35)23-17-22(18-23)26-24(28-29-30(31)32-11-12-37(29)19-33-28)9-7-21-8-10-25(34-27(21)26)20-5-3-2-4-6-20/h2-12,19,22-23H,13-18H2,1H3,(H2,31,32)
InChIKeyLHXVJSAPHKTYCV-UHFFFAOYSA-N
XLogP4.69
TPSA75.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.63
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[8-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2-phenylquinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-[8-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2-phenylquinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine (CID 45270898) is 1-[8-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2-phenylquinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-[8-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2-phenylquinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-[8-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2-phenylquinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine is CN1CCN(C2CC(c3c(-c4ncn5ccnc(N)c45)ccc4ccc(-c5ccccc5)nc34)C2)CC1.
What is the InChIKey of 1-[8-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2-phenylquinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is LHXVJSAPHKTYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7/c1-35-13-15-36(16-14-35)23-17-22(18-23)26-24(28-29-30(31)32-11-12-37(29)19-33-28)9-7-21-8-10-25(34-27(21)26)20-5-3-2-4-6-20/h2-12,19,22-23H,13-18H2,1H3,(H2,31,32).
What are the key properties of 1-[8-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2-phenylquinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine?
1-[8-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2-phenylquinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 489.63 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[3-(4-methylpiperazin-1-yl)cyclobutyl]-2-phenylquinolin-7-yl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 45270898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).