6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

C26H27N7O — CID 146793371

IUPAC6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCNC1=NCc2cc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)ccc21
InChIInChI=1S/C26H27N7O/c1-2-27-24-22-8-3-18(15-19(22)16-29-24)23-17-33-10-9-28-26(33)25(31-23)30-20-4-6-21(7-5-20)32-11-13-34-14-12-32/h3-10,15,17H,2,11-14,16H2,1H3,(H,27,29)(H,30,31)
InChIKeyRWGPKTZHMFTLJN-UHFFFAOYSA-N
MW453.55 g/mol
LogP3.85
Rot. Bonds5

About 6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 146793371) has the molecular formula C26H27N7O and a molecular weight of 453.55 g/mol. Its IUPAC name is 6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID146793371
Molecular FormulaC26H27N7O
Molecular Weight453.55 g/mol
Exact Mass453.23
IUPAC Name6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCNC1=NCc2cc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)ccc21
InChIInChI=1S/C26H27N7O/c1-2-27-24-22-8-3-18(15-19(22)16-29-24)23-17-33-10-9-28-26(33)25(31-23)30-20-4-6-21(7-5-20)32-11-13-34-14-12-32/h3-10,15,17H,2,11-14,16H2,1H3,(H,27,29)(H,30,31)
InChIKeyRWGPKTZHMFTLJN-UHFFFAOYSA-N
XLogP3.85
TPSA79.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine 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 6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 146793371) is 6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is CCNC1=NCc2cc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)ccc21.
What is the InChIKey of 6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is RWGPKTZHMFTLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O/c1-2-27-24-22-8-3-18(15-19(22)16-29-24)23-17-33-10-9-28-26(33)25(31-23)30-20-4-6-21(7-5-20)32-11-13-34-14-12-32/h3-10,15,17H,2,11-14,16H2,1H3,(H,27,29)(H,30,31).
What are the key properties of 6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 453.55 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(ethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 146793371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).