1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione

C28H28N4O4 — CID 46259401

IUPAC1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione
SMILESCc1ccc(C)c(Cn2c(=O)c(=O)n(Cc3ccc(C(=O)N4CCOCC4)cc3)c3ncccc32)c1
InChIInChI=1S/C28H28N4O4/c1-19-5-6-20(2)23(16-19)18-31-24-4-3-11-29-25(24)32(28(35)27(31)34)17-21-7-9-22(10-8-21)26(33)30-12-14-36-15-13-30/h3-11,16H,12-15,17-18H2,1-2H3
InChIKeyYFCOBPDBGMYYGJ-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.74
Rot. Bonds5

About 1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione

1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 46259401) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID46259401
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione
SMILESCc1ccc(C)c(Cn2c(=O)c(=O)n(Cc3ccc(C(=O)N4CCOCC4)cc3)c3ncccc32)c1
InChIInChI=1S/C28H28N4O4/c1-19-5-6-20(2)23(16-19)18-31-24-4-3-11-29-25(24)32(28(35)27(31)34)17-21-7-9-22(10-8-21)26(33)30-12-14-36-15-13-30/h3-11,16H,12-15,17-18H2,1-2H3
InChIKeyYFCOBPDBGMYYGJ-UHFFFAOYSA-N
XLogP2.74
TPSA86.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione (CID 46259401) is 1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione is Cc1ccc(C)c(Cn2c(=O)c(=O)n(Cc3ccc(C(=O)N4CCOCC4)cc3)c3ncccc32)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is YFCOBPDBGMYYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-19-5-6-20(2)23(16-19)18-31-24-4-3-11-29-25(24)32(28(35)27(31)34)17-21-7-9-22(10-8-21)26(33)30-12-14-36-15-13-30/h3-11,16H,12-15,17-18H2,1-2H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione?
1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 484.56 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-4-[[4-(morpholine-4-carbonyl)phenyl]methyl]pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 46259401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).