6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

C27H30N6O — CID 59473588

IUPAC6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCN1CCc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc2C1
InChIInChI=1S/C27H30N6O/c1-2-31-11-9-20-3-4-21(17-22(20)18-31)25-19-33-12-10-28-27(33)26(30-25)29-23-5-7-24(8-6-23)32-13-15-34-16-14-32/h3-8,10,12,17,19H,2,9,11,13-16,18H2,1H3,(H,29,30)
InChIKeyHRZWFLHHARKBOU-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.35
Rot. Bonds5

About 6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 59473588) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is 6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID59473588
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Name6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCN1CCc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc2C1
InChIInChI=1S/C27H30N6O/c1-2-31-11-9-20-3-4-21(17-22(20)18-31)25-19-33-12-10-28-27(33)26(30-25)29-23-5-7-24(8-6-23)32-13-15-34-16-14-32/h3-8,10,12,17,19H,2,9,11,13-16,18H2,1H3,(H,29,30)
InChIKeyHRZWFLHHARKBOU-UHFFFAOYSA-N
XLogP4.35
TPSA57.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 59473588) is 6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is CCN1CCc2ccc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc2C1.
What is the InChIKey of 6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is HRZWFLHHARKBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-2-31-11-9-20-3-4-21(17-22(20)18-31)25-19-33-12-10-28-27(33)26(30-25)29-23-5-7-24(8-6-23)32-13-15-34-16-14-32/h3-8,10,12,17,19H,2,9,11,13-16,18H2,1H3,(H,29,30).
What are the key properties of 6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 454.58 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-3,4-dihydro-1H-isoquinolin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 59473588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).