4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine

C23H24N4O3 — CID 142692328

IUPAC4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine
SMILESCOc1ccc(C#Cc2nc3ncccc3nc2OCCN2CCOCC2)c(C)c1
InChIInChI=1S/C23H24N4O3/c1-17-16-19(28-2)7-5-18(17)6-8-21-23(26-20-4-3-9-24-22(20)25-21)30-15-12-27-10-13-29-14-11-27/h3-5,7,9,16H,10-15H2,1-2H3
InChIKeyAUJUKEMKQQVJPT-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.45
Rot. Bonds5

About 4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine

4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine (PubChem CID 142692328) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine
PubChem CID142692328
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine
SMILESCOc1ccc(C#Cc2nc3ncccc3nc2OCCN2CCOCC2)c(C)c1
InChIInChI=1S/C23H24N4O3/c1-17-16-19(28-2)7-5-18(17)6-8-21-23(26-20-4-3-9-24-22(20)25-21)30-15-12-27-10-13-29-14-11-27/h3-5,7,9,16H,10-15H2,1-2H3
InChIKeyAUJUKEMKQQVJPT-UHFFFAOYSA-N
XLogP2.45
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine (CID 142692328) is 4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine is COc1ccc(C#Cc2nc3ncccc3nc2OCCN2CCOCC2)c(C)c1.
What is the InChIKey of 4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine?
The InChIKey is AUJUKEMKQQVJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-17-16-19(28-2)7-5-18(17)6-8-21-23(26-20-4-3-9-24-22(20)25-21)30-15-12-27-10-13-29-14-11-27/h3-5,7,9,16H,10-15H2,1-2H3.
What are the key properties of 4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine?
4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine has a molecular weight of 404.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-(4-methoxy-2-methylphenyl)ethynyl]pyrido[2,3-b]pyrazin-2-yl]oxyethyl]morpholine is sourced from PubChem (CID 142692328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).