4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one

C21H21F2N3O2 — CID 70688490

IUPAC4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCCC(C1CC1)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3F)ccnc21
InChIInChI=1S/C21H21F2N3O2/c1-4-17(12-5-6-12)26-20-19(25-11(2)21(26)27)13(7-8-24-20)14-9-16(23)18(28-3)10-15(14)22/h7-10,12,17H,4-6H2,1-3H3
InChIKeySJERJORLCVYKPW-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.41
Rot. Bonds5

About 4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one

4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 70688490) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID70688490
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCCC(C1CC1)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3F)ccnc21
InChIInChI=1S/C21H21F2N3O2/c1-4-17(12-5-6-12)26-20-19(25-11(2)21(26)27)13(7-8-24-20)14-9-16(23)18(28-3)10-15(14)22/h7-10,12,17H,4-6H2,1-3H3
InChIKeySJERJORLCVYKPW-UHFFFAOYSA-N
XLogP4.41
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one (CID 70688490) is 4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one is CCC(C1CC1)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3F)ccnc21.
What is the InChIKey of 4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is SJERJORLCVYKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-4-17(12-5-6-12)26-20-19(25-11(2)21(26)27)13(7-8-24-20)14-9-16(23)18(28-3)10-15(14)22/h7-10,12,17H,4-6H2,1-3H3.
What are the key properties of 4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one?
4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 385.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpropyl)-8-(2,5-difluoro-4-methoxyphenyl)-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 70688490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).