8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one

C19H19Cl2N3O — CID 22052205

IUPAC8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one
SMILESCCCC(C)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21
InChIInChI=1S/C19H19Cl2N3O/c1-4-5-11(2)24-18-17(23-12(3)19(24)25)15(8-9-22-18)14-7-6-13(20)10-16(14)21/h6-11H,4-5H2,1-3H3
InChIKeySFEJCKYMUDUXBH-UHFFFAOYSA-N
MW376.29 g/mol
LogP5.43
Rot. Bonds4

About 8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one

8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one (PubChem CID 22052205) has the molecular formula C19H19Cl2N3O and a molecular weight of 376.29 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one
PubChem CID22052205
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC Name8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one
SMILESCCCC(C)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21
InChIInChI=1S/C19H19Cl2N3O/c1-4-5-11(2)24-18-17(23-12(3)19(24)25)15(8-9-22-18)14-7-6-13(20)10-16(14)21/h6-11H,4-5H2,1-3H3
InChIKeySFEJCKYMUDUXBH-UHFFFAOYSA-N
XLogP5.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one (CID 22052205) is 8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one is CCCC(C)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21.
What is the InChIKey of 8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is SFEJCKYMUDUXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c1-4-5-11(2)24-18-17(23-12(3)19(24)25)15(8-9-22-18)14-7-6-13(20)10-16(14)21/h6-11H,4-5H2,1-3H3.
What are the key properties of 8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one?
8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 376.29 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 22052205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).