(7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate

C13H15N3O3 — CID 143691584

IUPAC(7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate
SMILESCc1c(OC(=O)C(C)(C)C)c2nccnc2[nH]c1=O
InChIInChI=1S/C13H15N3O3/c1-7-9(19-12(18)13(2,3)4)8-10(16-11(7)17)15-6-5-14-8/h5-6H,1-4H3,(H,15,16,17)
InChIKeyKVUYMYLVVJRZQW-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.58
Rot. Bonds1

About (7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate

(7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate (PubChem CID 143691584) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate
PubChem CID143691584
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate
SMILESCc1c(OC(=O)C(C)(C)C)c2nccnc2[nH]c1=O
InChIInChI=1S/C13H15N3O3/c1-7-9(19-12(18)13(2,3)4)8-10(16-11(7)17)15-6-5-14-8/h5-6H,1-4H3,(H,15,16,17)
InChIKeyKVUYMYLVVJRZQW-UHFFFAOYSA-N
XLogP1.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate?
The IUPAC name of (7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate (CID 143691584) is (7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate is Cc1c(OC(=O)C(C)(C)C)c2nccnc2[nH]c1=O.
What is the InChIKey of (7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate?
The InChIKey is KVUYMYLVVJRZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7-9(19-12(18)13(2,3)4)8-10(16-11(7)17)15-6-5-14-8/h5-6H,1-4H3,(H,15,16,17).
What are the key properties of (7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate?
(7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate has a molecular weight of 261.28 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-8-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 143691584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).