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

C22H25N3O — CID 70692690

IUPAC4-(1-cyclopropylpropyl)-8-(2,4-dimethylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCCC(C1CC1)n1c(=O)c(C)nc2c(-c3ccc(C)cc3C)ccnc21
InChIInChI=1S/C22H25N3O/c1-5-19(16-7-8-16)25-21-20(24-15(4)22(25)26)18(10-11-23-21)17-9-6-13(2)12-14(17)3/h6,9-12,16,19H,5,7-8H2,1-4H3
InChIKeyYAEWFYUWTRVDFK-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.74
Rot. Bonds4

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

4-(1-cyclopropylpropyl)-8-(2,4-dimethylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 70692690) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-(1-cyclopropylpropyl)-8-(2,4-dimethylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(1-cyclopropylpropyl)-8-(2,4-dimethylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID70692690
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name4-(1-cyclopropylpropyl)-8-(2,4-dimethylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCCC(C1CC1)n1c(=O)c(C)nc2c(-c3ccc(C)cc3C)ccnc21
InChIInChI=1S/C22H25N3O/c1-5-19(16-7-8-16)25-21-20(24-15(4)22(25)26)18(10-11-23-21)17-9-6-13(2)12-14(17)3/h6,9-12,16,19H,5,7-8H2,1-4H3
InChIKeyYAEWFYUWTRVDFK-UHFFFAOYSA-N
XLogP4.74
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpropyl)-8-(2,4-dimethylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(1-cyclopropylpropyl)-8-(2,4-dimethylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one (CID 70692690) is 4-(1-cyclopropylpropyl)-8-(2,4-dimethylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(1-cyclopropylpropyl)-8-(2,4-dimethylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(1-cyclopropylpropyl)-8-(2,4-dimethylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one is CCC(C1CC1)n1c(=O)c(C)nc2c(-c3ccc(C)cc3C)ccnc21.
What is the InChIKey of 4-(1-cyclopropylpropyl)-8-(2,4-dimethylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is YAEWFYUWTRVDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-5-19(16-7-8-16)25-21-20(24-15(4)22(25)26)18(10-11-23-21)17-9-6-13(2)12-14(17)3/h6,9-12,16,19H,5,7-8H2,1-4H3.
What are the key properties of 4-(1-cyclopropylpropyl)-8-(2,4-dimethylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
4-(1-cyclopropylpropyl)-8-(2,4-dimethylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 347.46 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpropyl)-8-(2,4-dimethylphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 70692690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).