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

C37H31N5O2 — CID 59827900

IUPAC2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
SMILESNc1cccn2c(C3CCC(CN4C(=O)c5ccccc5C4=O)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C37H31N5O2/c38-30-11-6-20-41-34(30)33(27-17-16-25-18-19-31(39-32(25)21-27)24-7-2-1-3-8-24)40-35(41)26-14-12-23(13-15-26)22-42-36(43)28-9-4-5-10-29(28)37(42)44/h1-11,16-21,23,26H,12-15,22,38H2
InChIKeyLJLBDDAKTPJKGL-UHFFFAOYSA-N
MW577.69 g/mol
LogP7.37
Rot. Bonds5

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

2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione (PubChem CID 59827900) has the molecular formula C37H31N5O2 and a molecular weight of 577.69 g/mol. Its IUPAC name is 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
PubChem CID59827900
Molecular FormulaC37H31N5O2
Molecular Weight577.69 g/mol
Exact Mass577.25
IUPAC Name2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione
SMILESNc1cccn2c(C3CCC(CN4C(=O)c5ccccc5C4=O)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C37H31N5O2/c38-30-11-6-20-41-34(30)33(27-17-16-25-18-19-31(39-32(25)21-27)24-7-2-1-3-8-24)40-35(41)26-14-12-23(13-15-26)22-42-36(43)28-9-4-5-10-29(28)37(42)44/h1-11,16-21,23,26H,12-15,22,38H2
InChIKeyLJLBDDAKTPJKGL-UHFFFAOYSA-N
XLogP7.37
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]pyridin-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]pyridin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione (CID 59827900) is 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-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]pyridin-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]pyridin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione is Nc1cccn2c(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]pyridin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione?
The InChIKey is LJLBDDAKTPJKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N5O2/c38-30-11-6-20-41-34(30)33(27-17-16-25-18-19-31(39-32(25)21-27)24-7-2-1-3-8-24)40-35(41)26-14-12-23(13-15-26)22-42-36(43)28-9-4-5-10-29(28)37(42)44/h1-11,16-21,23,26H,12-15,22,38H2.
What are the key properties of 2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione?
2-[[4-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyridin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione has a molecular weight of 577.69 g/mol, XLogP of 7.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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]pyridin-3-yl]cyclohexyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 59827900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).