5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one

C24H22N6O2 — CID 57393993

IUPAC5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3cnc(Nc4ccc(N5CCOCC5)cc4)c4nccn34)ccc21
InChIInChI=1S/C24H22N6O2/c31-24-20-6-1-16(13-17(20)14-27-24)21-15-26-22(23-25-7-8-30(21)23)28-18-2-4-19(5-3-18)29-9-11-32-12-10-29/h1-8,13,15H,9-12,14H2,(H,26,28)(H,27,31)
InChIKeyPMFMZQFBDGJDMA-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.22
Rot. Bonds4

About 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one

5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 57393993) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID57393993
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3cnc(Nc4ccc(N5CCOCC5)cc4)c4nccn34)ccc21
InChIInChI=1S/C24H22N6O2/c31-24-20-6-1-16(13-17(20)14-27-24)21-15-26-22(23-25-7-8-30(21)23)28-18-2-4-19(5-3-18)29-9-11-32-12-10-29/h1-8,13,15H,9-12,14H2,(H,26,28)(H,27,31)
InChIKeyPMFMZQFBDGJDMA-UHFFFAOYSA-N
XLogP3.22
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-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 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one (CID 57393993) is 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2cc(-c3cnc(Nc4ccc(N5CCOCC5)cc4)c4nccn34)ccc21.
What is the InChIKey of 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is PMFMZQFBDGJDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c31-24-20-6-1-16(13-17(20)14-27-24)21-15-26-22(23-25-7-8-30(21)23)28-18-2-4-19(5-3-18)29-9-11-32-12-10-29/h1-8,13,15H,9-12,14H2,(H,26,28)(H,27,31).
What are the key properties of 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one?
5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 426.48 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 57393993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).