7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one

C11H7ClN4O2S — CID 58114934

IUPAC7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1nc(Cl)sc1-c1c(O)c2nccnc2[nH]c1=O
InChIInChI=1S/C11H7ClN4O2S/c1-4-8(19-11(12)15-4)5-7(17)6-9(16-10(5)18)14-3-2-13-6/h2-3H,1H3,(H2,14,16,17,18)
InChIKeyYLXHHJRKYDFJJI-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.11
Rot. Bonds1

About 7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one

7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one (PubChem CID 58114934) has the molecular formula C11H7ClN4O2S and a molecular weight of 294.72 g/mol. Its IUPAC name is 7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one
PubChem CID58114934
Molecular FormulaC11H7ClN4O2S
Molecular Weight294.72 g/mol
Exact Mass294.00
IUPAC Name7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one
SMILESCc1nc(Cl)sc1-c1c(O)c2nccnc2[nH]c1=O
InChIInChI=1S/C11H7ClN4O2S/c1-4-8(19-11(12)15-4)5-7(17)6-9(16-10(5)18)14-3-2-13-6/h2-3H,1H3,(H2,14,16,17,18)
InChIKeyYLXHHJRKYDFJJI-UHFFFAOYSA-N
XLogP2.11
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one (CID 58114934) is 7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one is Cc1nc(Cl)sc1-c1c(O)c2nccnc2[nH]c1=O.
What is the InChIKey of 7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one?
The InChIKey is YLXHHJRKYDFJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O2S/c1-4-8(19-11(12)15-4)5-7(17)6-9(16-10(5)18)14-3-2-13-6/h2-3H,1H3,(H2,14,16,17,18).
What are the key properties of 7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one?
7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one has a molecular weight of 294.72 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-4-methyl-1,3-thiazol-5-yl)-8-hydroxy-5H-pyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 58114934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).