5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one

C19H19Cl2N3O2 — CID 10385822

IUPAC5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one
SMILESCC[C@H](COC)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)nccc21
InChIInChI=1S/C19H19Cl2N3O2/c1-4-13(10-26-3)24-16-7-8-22-17(18(16)23-11(2)19(24)25)14-6-5-12(20)9-15(14)21/h5-9,13H,4,10H2,1-3H3/t13-/m1/s1
InChIKeyICYSJJKETKNVBM-CYBMUJFWSA-N
MW392.29 g/mol
LogP4.67
Rot. Bonds5

About 5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one

5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one (PubChem CID 10385822) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one
PubChem CID10385822
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC Name5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one
SMILESCC[C@H](COC)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)nccc21
InChIInChI=1S/C19H19Cl2N3O2/c1-4-13(10-26-3)24-16-7-8-22-17(18(16)23-11(2)19(24)25)14-6-5-12(20)9-15(14)21/h5-9,13H,4,10H2,1-3H3/t13-/m1/s1
InChIKeyICYSJJKETKNVBM-CYBMUJFWSA-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

Analyze 5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one with MolForge

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Related Compounds

1-[(1R)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one
CID 10385581
4-(2,4-dichlorophenyl)-2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001464
8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one
CID 11744040
5-(6-methoxy-2-methyl-3-pyridinyl)-1-(1-methoxypropan-2-yl)-3-methylpyrido[3,4-b]pyrazin-2-one
CID 22052202
4-(2-chloro-4-methylsulfonylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001600
4-(2-chloro-5-fluoro-4-methylphenyl)-2-ethyl-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001639
4-(5-fluoro-4-methoxy-2-methylphenyl)-2-methoxy-1-(1-methoxybutan-2-yl)imidazo[4,5-c]pyridine
CID 18001490
8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one
CID 10384880
1-(1-cyclobutylpropyl)-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methylpyrido[3,4-b]pyrazin-2-one
CID 22052068
8-(2-chloro-4-methoxyphenyl)-4-heptan-4-yl-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10386244
4-(2,6-dimethyl-3-pyridinyl)-2-methoxy-1-(1-methoxypentan-3-yl)imidazo[4,5-c]pyridine
CID 18001474
8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 22052152

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one?
The IUPAC name of 5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one (CID 10385822) is 5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one?
The canonical SMILES for 5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one is CC[C@H](COC)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)nccc21.
What is the InChIKey of 5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one?
The InChIKey is ICYSJJKETKNVBM-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c1-4-13(10-26-3)24-16-7-8-22-17(18(16)23-11(2)19(24)25)14-6-5-12(20)9-15(14)21/h5-9,13H,4,10H2,1-3H3/t13-/m1/s1.
What are the key properties of 5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one?
5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-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 5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one is sourced from PubChem (CID 10385822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).