About [4-[8-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone
[4-[8-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone (PubChem CID 44538991) has the molecular formula C31H30N6O2
and a molecular weight of 518.62 g/mol. Its IUPAC name is [4-[8-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone.
Molecular Properties
| Compound Name | [4-[8-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone |
|---|
| PubChem CID | 44538991 |
|---|
| Molecular Formula | C31H30N6O2 |
|---|
| Molecular Weight | 518.62 g/mol |
|---|
| Exact Mass | 518.24 |
|---|
| IUPAC Name | [4-[8-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone |
|---|
| SMILES | COc1cc(-c2nc(-c3ccc(N4CCN(C)CC4)cc3)n3ccnc(N)c23)ccc1C(=O)c1ccccc1 |
|---|
| InChI | InChI=1S/C31H30N6O2/c1-35-16-18-36(19-17-35)24-11-8-22(9-12-24)31-34-27(28-30(32)33-14-15-37(28)31)23-10-13-25(26(20-23)39-2)29(38)21-6-4-3-5-7-21/h3-15,20H,16-19H2,1-2H3,(H2,32,33) |
|---|
| InChIKey | DSIGNGLMLSKJHF-UHFFFAOYSA-N |
|---|
| XLogP | 4.64 |
|---|
| TPSA | 88.99 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 518.62 |
| LogP ≤ 5 | 4.64 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'} |
|---|
Analyze [4-[8-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone 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 [4-[8-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone?
The IUPAC name of [4-[8-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone (CID 44538991) is [4-[8-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone.
What is the SMILES notation for [4-[8-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone?
The canonical SMILES for [4-[8-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone is COc1cc(-c2nc(-c3ccc(N4CCN(C)CC4)cc3)n3ccnc(N)c23)ccc1C(=O)c1ccccc1.
What is the InChIKey of [4-[8-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone?
The InChIKey is DSIGNGLMLSKJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N6O2/c1-35-16-18-36(19-17-35)24-11-8-22(9-12-24)31-34-27(28-30(32)33-14-15-37(28)31)23-10-13-25(26(20-23)39-2)29(38)21-6-4-3-5-7-21/h3-15,20H,16-19H2,1-2H3,(H2,32,33).
What are the key properties of [4-[8-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone?
[4-[8-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone has a molecular weight of 518.62 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxyphenyl]-phenylmethanone is sourced from PubChem (CID 44538991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).