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

C28H31N7O — CID 147289160

IUPAC6-[1-(diethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCN(CC)C1=NCc2cc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)ccc21
InChIInChI=1S/C28H31N7O/c1-3-33(4-2)27-24-10-5-20(17-21(24)18-30-27)25-19-35-12-11-29-28(35)26(32-25)31-22-6-8-23(9-7-22)34-13-15-36-16-14-34/h5-12,17,19H,3-4,13-16,18H2,1-2H3,(H,31,32)
InChIKeyCTVLWVFAMOQDEQ-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.58
Rot. Bonds6

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

6-[1-(diethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 147289160) has the molecular formula C28H31N7O and a molecular weight of 481.60 g/mol. Its IUPAC name is 6-[1-(diethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-[1-(diethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID147289160
Molecular FormulaC28H31N7O
Molecular Weight481.60 g/mol
Exact Mass481.26
IUPAC Name6-[1-(diethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCN(CC)C1=NCc2cc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)ccc21
InChIInChI=1S/C28H31N7O/c1-3-33(4-2)27-24-10-5-20(17-21(24)18-30-27)25-19-35-12-11-29-28(35)26(32-25)31-22-6-8-23(9-7-22)34-13-15-36-16-14-34/h5-12,17,19H,3-4,13-16,18H2,1-2H3,(H,31,32)
InChIKeyCTVLWVFAMOQDEQ-UHFFFAOYSA-N
XLogP4.58
TPSA70.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(diethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-[1-(diethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 147289160) is 6-[1-(diethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-[1-(diethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-[1-(diethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is CCN(CC)C1=NCc2cc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)ccc21.
What is the InChIKey of 6-[1-(diethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is CTVLWVFAMOQDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O/c1-3-33(4-2)27-24-10-5-20(17-21(24)18-30-27)25-19-35-12-11-29-28(35)26(32-25)31-22-6-8-23(9-7-22)34-13-15-36-16-14-34/h5-12,17,19H,3-4,13-16,18H2,1-2H3,(H,31,32).
What are the key properties of 6-[1-(diethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
6-[1-(diethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 481.60 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(diethylamino)-3H-isoindol-5-yl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 147289160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).