4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one

C24H17N3O — CID 118940844

IUPAC4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one
SMILESO=c1cnc2ccncc2n1Cc1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C24H17N3O/c28-24-15-26-22-10-11-25-14-23(22)27(24)16-17-4-3-7-19(12-17)21-9-8-18-5-1-2-6-20(18)13-21/h1-15H,16H2
InChIKeyFXCAPDQXODJKDJ-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.66
Rot. Bonds3

About 4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one

4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one (PubChem CID 118940844) has the molecular formula C24H17N3O and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one
PubChem CID118940844
Molecular FormulaC24H17N3O
Molecular Weight363.42 g/mol
Exact Mass363.14
IUPAC Name4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one
SMILESO=c1cnc2ccncc2n1Cc1cccc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C24H17N3O/c28-24-15-26-22-10-11-25-14-23(22)27(24)16-17-4-3-7-19(12-17)21-9-8-18-5-1-2-6-20(18)13-21/h1-15H,16H2
InChIKeyFXCAPDQXODJKDJ-UHFFFAOYSA-N
XLogP4.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one (CID 118940844) is 4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one is O=c1cnc2ccncc2n1Cc1cccc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one?
The InChIKey is FXCAPDQXODJKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O/c28-24-15-26-22-10-11-25-14-23(22)27(24)16-17-4-3-7-19(12-17)21-9-8-18-5-1-2-6-20(18)13-21/h1-15H,16H2.
What are the key properties of 4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one?
4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one has a molecular weight of 363.42 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-naphthalen-2-ylphenyl)methyl]pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 118940844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).