8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one

C19H19Cl2N3O2 — CID 10363079

IUPAC8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCC[C@@H](COC)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21
InChIInChI=1S/C19H19Cl2N3O2/c1-4-13(10-26-3)24-18-17(23-11(2)19(24)25)15(7-8-22-18)14-6-5-12(20)9-16(14)21/h5-9,13H,4,10H2,1-3H3/t13-/m0/s1
InChIKeyZXVYJALWEMWQCF-ZDUSSCGKSA-N
MW392.29 g/mol
LogP4.67
Rot. Bonds5

About 8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one

8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 10363079) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID10363079
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCC[C@@H](COC)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21
InChIInChI=1S/C19H19Cl2N3O2/c1-4-13(10-26-3)24-18-17(23-11(2)19(24)25)15(7-8-22-18)14-6-5-12(20)9-16(14)21/h5-9,13H,4,10H2,1-3H3/t13-/m0/s1
InChIKeyZXVYJALWEMWQCF-ZDUSSCGKSA-N
XLogP4.67
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one (CID 10363079) is 8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one is CC[C@@H](COC)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21.
What is the InChIKey of 8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is ZXVYJALWEMWQCF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-4-13(10-26-3)24-18-17(23-11(2)19(24)25)15(7-8-22-18)14-6-5-12(20)9-16(14)21/h5-9,13H,4,10H2,1-3H3/t13-/m0/s1.
What are the key properties of 8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one?
8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 392.29 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 10363079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).