3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile

C24H18N6O2 — CID 154656650

IUPAC3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile
SMILESCc1c(C#N)cccc1-c1nc2[nH]cc(C#N)c(=O)c2nc1-c1ccc(=O)n(C(C)C)c1
InChIInChI=1S/C24H18N6O2/c1-13(2)30-12-16(7-8-19(30)31)20-21(18-6-4-5-15(9-25)14(18)3)29-24-22(28-20)23(32)17(10-26)11-27-24/h4-8,11-13H,1-3H3,(H,27,29,32)
InChIKeyBXTGCELBGIAZTJ-UHFFFAOYSA-N
MW422.45 g/mol
LogP3.45
Rot. Bonds3

About 3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile

3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile (PubChem CID 154656650) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile.

Molecular Properties

Compound Name3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile
PubChem CID154656650
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC Name3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile
SMILESCc1c(C#N)cccc1-c1nc2[nH]cc(C#N)c(=O)c2nc1-c1ccc(=O)n(C(C)C)c1
InChIInChI=1S/C24H18N6O2/c1-13(2)30-12-16(7-8-19(30)31)20-21(18-6-4-5-15(9-25)14(18)3)29-24-22(28-20)23(32)17(10-26)11-27-24/h4-8,11-13H,1-3H3,(H,27,29,32)
InChIKeyBXTGCELBGIAZTJ-UHFFFAOYSA-N
XLogP3.45
TPSA128.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile?
The IUPAC name of 3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile (CID 154656650) is 3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile.
What is the SMILES notation for 3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile?
The canonical SMILES for 3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile is Cc1c(C#N)cccc1-c1nc2[nH]cc(C#N)c(=O)c2nc1-c1ccc(=O)n(C(C)C)c1.
What is the InChIKey of 3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile?
The InChIKey is BXTGCELBGIAZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2/c1-13(2)30-12-16(7-8-19(30)31)20-21(18-6-4-5-15(9-25)14(18)3)29-24-22(28-20)23(32)17(10-26)11-27-24/h4-8,11-13H,1-3H3,(H,27,29,32).
What are the key properties of 3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile?
3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile has a molecular weight of 422.45 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-2-methylphenyl)-8-oxo-2-(6-oxo-1-propan-2-yl-3-pyridinyl)-5H-pyrido[2,3-b]pyrazine-7-carbonitrile is sourced from PubChem (CID 154656650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).