4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one

C20H19Cl2N3O — CID 10407938

IUPAC4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21
InChIInChI=1S/C20H19Cl2N3O/c1-3-17(12-4-5-12)25-19-18(24-11(2)20(25)26)15(8-9-23-19)14-7-6-13(21)10-16(14)22/h6-10,12,17H,3-5H2,1-2H3/t17-/m1/s1
InChIKeyRMWAWFQZNQXANZ-QGZVFWFLSA-N
MW388.30 g/mol
LogP5.43
Rot. Bonds4

About 4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one

4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 10407938) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is 4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID10407938
Molecular FormulaC20H19Cl2N3O
Molecular Weight388.30 g/mol
Exact Mass387.09
IUPAC Name4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21
InChIInChI=1S/C20H19Cl2N3O/c1-3-17(12-4-5-12)25-19-18(24-11(2)20(25)26)15(8-9-23-19)14-7-6-13(21)10-16(14)22/h6-10,12,17H,3-5H2,1-2H3/t17-/m1/s1
InChIKeyRMWAWFQZNQXANZ-QGZVFWFLSA-N
XLogP5.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.30
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[2-Chloro-4-(dimethylamino)-5-fluorophenyl]-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 9979210
8-(2,4-dichlorophenyl)-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one
CID 9977800
4-[(1S)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10249650
8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10363079
8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10454889
1-[(1S)-1-cyclopropylpropyl]-5-(2,4-dichlorophenyl)-3-methylpyrido[3,4-b]pyrazin-2-one
CID 11740957
8-(2,4-dichloro-phenyl)-4-(2-methoxy-1-methyl-ethyl)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one
CID 22052069
4-(1-Cyclopropylbutyl)-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 22052073
8-(2,4-Dichlorophenyl)-2-methyl-4-(3-methylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one
CID 22052143
8-(2,4-Dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one
CID 22052205
(S)-N-(5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3-methylpiperazin-1-yl)pyridin-3-yl)cyclopropanecarboxamide
CID 53319881
1-{3-[(1S)-amino-3-methylbutyl]-2-pyridinyl}-4-[3-(2,4-dichlorophenyl)-propionyl]piperazine
CID 24740310

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one (CID 10407938) is 4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one is CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21.
What is the InChIKey of 4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is RMWAWFQZNQXANZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-3-17(12-4-5-12)25-19-18(24-11(2)20(25)26)15(8-9-23-19)14-7-6-13(21)10-16(14)22/h6-10,12,17H,3-5H2,1-2H3/t17-/m1/s1.
What are the key properties of 4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 388.30 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 4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 10407938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).