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

C21H22ClN3O2 — CID 22052152

IUPAC8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCCC(C1CC1)n1c(=O)c(C)nc2c(-c3ccc(OC)cc3Cl)ccnc21
InChIInChI=1S/C21H22ClN3O2/c1-4-18(13-5-6-13)25-20-19(24-12(2)21(25)26)16(9-10-23-20)15-8-7-14(27-3)11-17(15)22/h7-11,13,18H,4-6H2,1-3H3
InChIKeyFXOACBIOORTTBF-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.79
Rot. Bonds5

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

8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 22052152) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID22052152
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCCC(C1CC1)n1c(=O)c(C)nc2c(-c3ccc(OC)cc3Cl)ccnc21
InChIInChI=1S/C21H22ClN3O2/c1-4-18(13-5-6-13)25-20-19(24-12(2)21(25)26)16(9-10-23-20)15-8-7-14(27-3)11-17(15)22/h7-11,13,18H,4-6H2,1-3H3
InChIKeyFXOACBIOORTTBF-UHFFFAOYSA-N
XLogP4.79
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one (CID 22052152) is 8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one is CCC(C1CC1)n1c(=O)c(C)nc2c(-c3ccc(OC)cc3Cl)ccnc21.
What is the InChIKey of 8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is FXOACBIOORTTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-4-18(13-5-6-13)25-20-19(24-12(2)21(25)26)16(9-10-23-20)15-8-7-14(27-3)11-17(15)22/h7-11,13,18H,4-6H2,1-3H3.
What are the key properties of 8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 383.88 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-methoxyphenyl)-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 22052152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).