8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one

C19H19Cl2N3O — CID 10384880

IUPAC8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one
SMILESCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n([C@H](C)C(C)C)c1=O
InChIInChI=1S/C19H19Cl2N3O/c1-10(2)12(4)24-18-17(23-11(3)19(24)25)15(7-8-22-18)14-6-5-13(20)9-16(14)21/h5-10,12H,1-4H3/t12-/m1/s1
InChIKeyGRIJIMUUOAEPSF-GFCCVEGCSA-N
MW376.29 g/mol
LogP5.29
Rot. Bonds3

About 8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one

8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one (PubChem CID 10384880) 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-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one
PubChem CID10384880
Molecular FormulaC19H19Cl2N3O
Molecular Weight376.29 g/mol
Exact Mass375.09
IUPAC Name8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one
SMILESCc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n([C@H](C)C(C)C)c1=O
InChIInChI=1S/C19H19Cl2N3O/c1-10(2)12(4)24-18-17(23-11(3)19(24)25)15(7-8-22-18)14-6-5-13(20)9-16(14)21/h5-10,12H,1-4H3/t12-/m1/s1
InChIKeyGRIJIMUUOAEPSF-GFCCVEGCSA-N
XLogP5.29
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.29
LogP ≤ 55.29
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-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one (CID 10384880) is 8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one is Cc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n([C@H](C)C(C)C)c1=O.
What is the InChIKey of 8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one?
The InChIKey is GRIJIMUUOAEPSF-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19Cl2N3O/c1-10(2)12(4)24-18-17(23-11(3)19(24)25)15(7-8-22-18)14-6-5-13(20)9-16(14)21/h5-10,12H,1-4H3/t12-/m1/s1.
What are the key properties of 8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one?
8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one has a molecular weight of 376.29 g/mol, XLogP of 5.29, 3 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-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 10384880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).