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

C25H26N6O — CID 59473197

IUPACN-(4-morpholin-4-ylphenyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2cc(-c3ccc4c(c3)CNCC4)nc(Nc3ccc(N4CCOCC4)cc3)c2n1
InChIInChI=1S/C25H26N6O/c1-2-19(15-20-16-26-8-7-18(1)20)23-17-31-10-9-27-25(31)24(29-23)28-21-3-5-22(6-4-21)30-11-13-32-14-12-30/h1-6,9-10,15,17,26H,7-8,11-14,16H2,(H,28,29)
InChIKeyWPGAAQPCLGUXEP-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.62
Rot. Bonds4

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

N-(4-morpholin-4-ylphenyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 59473197) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID59473197
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-(4-morpholin-4-ylphenyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2cc(-c3ccc4c(c3)CNCC4)nc(Nc3ccc(N4CCOCC4)cc3)c2n1
InChIInChI=1S/C25H26N6O/c1-2-19(15-20-16-26-8-7-18(1)20)23-17-31-10-9-27-25(31)24(29-23)28-21-3-5-22(6-4-21)30-11-13-32-14-12-30/h1-6,9-10,15,17,26H,7-8,11-14,16H2,(H,28,29)
InChIKeyWPGAAQPCLGUXEP-UHFFFAOYSA-N
XLogP3.62
TPSA66.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.62
H-Bond Donors ≤ 52
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 N-(4-morpholin-4-ylphenyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-a]pyrazin-8-amine (CID 59473197) is N-(4-morpholin-4-ylphenyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-a]pyrazin-8-amine is c1cn2cc(-c3ccc4c(c3)CNCC4)nc(Nc3ccc(N4CCOCC4)cc3)c2n1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is WPGAAQPCLGUXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-2-19(15-20-16-26-8-7-18(1)20)23-17-31-10-9-27-25(31)24(29-23)28-21-3-5-22(6-4-21)30-11-13-32-14-12-30/h1-6,9-10,15,17,26H,7-8,11-14,16H2,(H,28,29).
What are the key properties of N-(4-morpholin-4-ylphenyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-a]pyrazin-8-amine?
N-(4-morpholin-4-ylphenyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 426.52 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-6-(1,2,3,4-tetrahydroisoquinolin-7-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 59473197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).