(3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone

C13H9N3O2S — CID 104515035

IUPAC(3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone
SMILESCOc1nccnc1C(=O)c1cnc2ccsc2c1
InChIInChI=1S/C13H9N3O2S/c1-18-13-11(14-3-4-15-13)12(17)8-6-10-9(16-7-8)2-5-19-10/h2-7H,1H3
InChIKeyUPZKRKHKGRIVKD-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.33
Rot. Bonds3

About (3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone

(3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone (PubChem CID 104515035) has the molecular formula C13H9N3O2S and a molecular weight of 271.30 g/mol. Its IUPAC name is (3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone.

Molecular Properties

Compound Name(3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone
PubChem CID104515035
Molecular FormulaC13H9N3O2S
Molecular Weight271.30 g/mol
Exact Mass271.04
IUPAC Name(3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone
SMILESCOc1nccnc1C(=O)c1cnc2ccsc2c1
InChIInChI=1S/C13H9N3O2S/c1-18-13-11(14-3-4-15-13)12(17)8-6-10-9(16-7-8)2-5-19-10/h2-7H,1H3
InChIKeyUPZKRKHKGRIVKD-UHFFFAOYSA-N
XLogP2.33
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone?
The IUPAC name of (3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone (CID 104515035) is (3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone.
What is the SMILES notation for (3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone?
The canonical SMILES for (3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone is COc1nccnc1C(=O)c1cnc2ccsc2c1.
What is the InChIKey of (3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone?
The InChIKey is UPZKRKHKGRIVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2S/c1-18-13-11(14-3-4-15-13)12(17)8-6-10-9(16-7-8)2-5-19-10/h2-7H,1H3.
What are the key properties of (3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone?
(3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone has a molecular weight of 271.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrazin-2-yl)-thieno[3,2-b]pyridin-6-ylmethanone is sourced from PubChem (CID 104515035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).