1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

C22H17ClN4O2 — CID 59025863

IUPAC1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESNc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cn1
InChIInChI=1S/C22H17ClN4O2/c23-16-8-6-15(7-9-16)22-18-4-2-1-3-17(18)21(29)27(22)12-11-26(22)20(28)14-5-10-19(24)25-13-14/h1-10,13H,11-12H2,(H2,24,25)
InChIKeyKBTGTAQOZWPVOR-UHFFFAOYSA-N
MW404.86 g/mol
LogP3.13
Rot. Bonds2

About 1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (PubChem CID 59025863) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.

Molecular Properties

Compound Name1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
PubChem CID59025863
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
SMILESNc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cn1
InChIInChI=1S/C22H17ClN4O2/c23-16-8-6-15(7-9-16)22-18-4-2-1-3-17(18)21(29)27(22)12-11-26(22)20(28)14-5-10-19(24)25-13-14/h1-10,13H,11-12H2,(H2,24,25)
InChIKeyKBTGTAQOZWPVOR-UHFFFAOYSA-N
XLogP3.13
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one 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-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The IUPAC name of 1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one (CID 59025863) is 1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one.
What is the SMILES notation for 1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The canonical SMILES for 1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is Nc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cn1.
What is the InChIKey of 1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
The InChIKey is KBTGTAQOZWPVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c23-16-8-6-15(7-9-16)22-18-4-2-1-3-17(18)21(29)27(22)12-11-26(22)20(28)14-5-10-19(24)25-13-14/h1-10,13H,11-12H2,(H2,24,25).
What are the key properties of 1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one?
1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one has a molecular weight of 404.86 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopyridine-3-carbonyl)-9b-(4-chlorophenyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one is sourced from PubChem (CID 59025863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).