3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one

C21H17FN4O2 — CID 154656998

IUPAC3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCC(C)n1cc(-c2nc3c(=O)cc[nH]c3nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C21H17FN4O2/c1-12(2)26-11-14(5-8-17(26)28)19-18(13-3-6-15(22)7-4-13)25-21-20(24-19)16(27)9-10-23-21/h3-12H,1-2H3,(H,23,25,27)
InChIKeyZPRNOXUQANHWLT-UHFFFAOYSA-N
MW376.39 g/mol
LogP3.53
Rot. Bonds3

About 3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one

3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one (PubChem CID 154656998) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one
PubChem CID154656998
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one
SMILESCC(C)n1cc(-c2nc3c(=O)cc[nH]c3nc2-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C21H17FN4O2/c1-12(2)26-11-14(5-8-17(26)28)19-18(13-3-6-15(22)7-4-13)25-21-20(24-19)16(27)9-10-23-21/h3-12H,1-2H3,(H,23,25,27)
InChIKeyZPRNOXUQANHWLT-UHFFFAOYSA-N
XLogP3.53
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one?
The IUPAC name of 3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one (CID 154656998) is 3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one is CC(C)n1cc(-c2nc3c(=O)cc[nH]c3nc2-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one?
The InChIKey is ZPRNOXUQANHWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-12(2)26-11-14(5-8-17(26)28)19-18(13-3-6-15(22)7-4-13)25-21-20(24-19)16(27)9-10-23-21/h3-12H,1-2H3,(H,23,25,27).
What are the key properties of 3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one?
3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one has a molecular weight of 376.39 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazin-8-one is sourced from PubChem (CID 154656998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).