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

C18H17Cl2N3O2 — CID 22052069

IUPAC8-(2,4-dichlorophenyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCOCC(C)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21
InChIInChI=1S/C18H17Cl2N3O2/c1-10(9-25-3)23-17-16(22-11(2)18(23)24)14(6-7-21-17)13-5-4-12(19)8-15(13)20/h4-8,10H,9H2,1-3H3
InChIKeySIOLFVXVJUWTBT-UHFFFAOYSA-N
MW378.26 g/mol
LogP4.28
Rot. Bonds4

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

8-(2,4-dichlorophenyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 22052069) has the molecular formula C18H17Cl2N3O2 and a molecular weight of 378.26 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID22052069
Molecular FormulaC18H17Cl2N3O2
Molecular Weight378.26 g/mol
Exact Mass377.07
IUPAC Name8-(2,4-dichlorophenyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCOCC(C)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21
InChIInChI=1S/C18H17Cl2N3O2/c1-10(9-25-3)23-17-16(22-11(2)18(23)24)14(6-7-21-17)13-5-4-12(19)8-15(13)20/h4-8,10H,9H2,1-3H3
InChIKeySIOLFVXVJUWTBT-UHFFFAOYSA-N
XLogP4.28
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.26
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
5-(2,4-dichlorophenyl)-1-[(2R)-1-methoxybutan-2-yl]-3-methylpyrido[3,4-b]pyrazin-2-one
CID 10385822
4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10407938
8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10454889
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
6-(4-Chlorophenyl)-2-(dimethylamino)-8-(2-methoxyethyl)pteridin-7-one
CID 3234129
6-(4-Chlorophenyl)-2-methoxy-8-(2-methoxyethyl)pteridin-7-one
CID 3234393

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-(2,4-dichlorophenyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one (CID 22052069) is 8-(2,4-dichlorophenyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-(2,4-dichlorophenyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one is COCC(C)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21.
What is the InChIKey of 8-(2,4-dichlorophenyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is SIOLFVXVJUWTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O2/c1-10(9-25-3)23-17-16(22-11(2)18(23)24)14(6-7-21-17)13-5-4-12(19)8-15(13)20/h4-8,10H,9H2,1-3H3.
What are the key properties of 8-(2,4-dichlorophenyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one?
8-(2,4-dichlorophenyl)-4-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 378.26 g/mol, XLogP of 4.28, 4 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-(1-methoxypropan-2-yl)-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 22052069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).