2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one

C25H18N4O — CID 22724339

IUPAC2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc(-c2cccnc2)c1
InChIInChI=1S/C25H18N4O/c30-25-23(15-18-7-2-1-3-8-18)28-22-12-6-14-27-24(22)29(25)21-11-4-9-19(16-21)20-10-5-13-26-17-20/h1-14,16-17H,15H2
InChIKeyIMBIFSHEQJBSKE-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.43
Rot. Bonds4

About 2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one

2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one (PubChem CID 22724339) has the molecular formula C25H18N4O and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one
PubChem CID22724339
Molecular FormulaC25H18N4O
Molecular Weight390.45 g/mol
Exact Mass390.15
IUPAC Name2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one
SMILESO=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc(-c2cccnc2)c1
InChIInChI=1S/C25H18N4O/c30-25-23(15-18-7-2-1-3-8-18)28-22-12-6-14-27-24(22)29(25)21-11-4-9-19(16-21)20-10-5-13-26-17-20/h1-14,16-17H,15H2
InChIKeyIMBIFSHEQJBSKE-UHFFFAOYSA-N
XLogP4.43
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one (CID 22724339) is 2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one is O=c1c(Cc2ccccc2)nc2cccnc2n1-c1cccc(-c2cccnc2)c1.
What is the InChIKey of 2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one?
The InChIKey is IMBIFSHEQJBSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O/c30-25-23(15-18-7-2-1-3-8-18)28-22-12-6-14-27-24(22)29(25)21-11-4-9-19(16-21)20-10-5-13-26-17-20/h1-14,16-17H,15H2.
What are the key properties of 2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one?
2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one has a molecular weight of 390.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(3-pyridin-3-ylphenyl)pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 22724339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).