2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione

C36H30N6O2 — CID 11599533

IUPAC2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
SMILESNc1nccn2c(C3CCC(CN4C(=O)c5ccccc5C4=O)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C36H30N6O2/c37-33-32-31(26-15-14-24-16-17-29(39-30(24)20-26)23-6-2-1-3-7-23)40-34(41(32)19-18-38-33)25-12-10-22(11-13-25)21-42-35(43)27-8-4-5-9-28(27)36(42)44/h1-9,14-20,22,25H,10-13,21H2,(H2,37,38)
InChIKeySWCIISDMFBNTHC-UHFFFAOYSA-N
MW578.68 g/mol
LogP6.76
Rot. Bonds5

About 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione

2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione (PubChem CID 11599533) has the molecular formula C36H30N6O2 and a molecular weight of 578.68 g/mol. Its IUPAC name is 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
PubChem CID11599533
Molecular FormulaC36H30N6O2
Molecular Weight578.68 g/mol
Exact Mass578.24
IUPAC Name2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
SMILESNc1nccn2c(C3CCC(CN4C(=O)c5ccccc5C4=O)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C36H30N6O2/c37-33-32-31(26-15-14-24-16-17-29(39-30(24)20-26)23-6-2-1-3-7-23)40-34(41(32)19-18-38-33)25-12-10-22(11-13-25)21-42-35(43)27-8-4-5-9-28(27)36(42)44/h1-9,14-20,22,25H,10-13,21H2,(H2,37,38)
InChIKeySWCIISDMFBNTHC-UHFFFAOYSA-N
XLogP6.76
TPSA106.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione (CID 11599533) is 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione is Nc1nccn2c(C3CCC(CN4C(=O)c5ccccc5C4=O)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione?
The InChIKey is SWCIISDMFBNTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N6O2/c37-33-32-31(26-15-14-24-16-17-29(39-30(24)20-26)23-6-2-1-3-7-23)40-34(41(32)19-18-38-33)25-12-10-22(11-13-25)21-42-35(43)27-8-4-5-9-28(27)36(42)44/h1-9,14-20,22,25H,10-13,21H2,(H2,37,38).
What are the key properties of 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione?
2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione has a molecular weight of 578.68 g/mol, XLogP of 6.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 11599533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).