7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine

C21H16N4OS — CID 146025713

IUPAC7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine
SMILESCc1cc(Oc2nccc3ccsc23)ccc1-c1c(C)ncc2nccn12
InChIInChI=1S/C21H16N4OS/c1-13-11-16(26-21-20-15(5-7-23-21)6-10-27-20)3-4-17(13)19-14(2)24-12-18-22-8-9-25(18)19/h3-12H,1-2H3
InChIKeyKJUJMQIFFDWSBH-UHFFFAOYSA-N
MW372.45 g/mol
LogP5.42
Rot. Bonds3

About 7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine

7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine (PubChem CID 146025713) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is 7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine.

Molecular Properties

Compound Name7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine
PubChem CID146025713
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC Name7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine
SMILESCc1cc(Oc2nccc3ccsc23)ccc1-c1c(C)ncc2nccn12
InChIInChI=1S/C21H16N4OS/c1-13-11-16(26-21-20-15(5-7-23-21)6-10-27-20)3-4-17(13)19-14(2)24-12-18-22-8-9-25(18)19/h3-12H,1-2H3
InChIKeyKJUJMQIFFDWSBH-UHFFFAOYSA-N
XLogP5.42
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.45
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine?
The IUPAC name of 7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine (CID 146025713) is 7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine.
What is the SMILES notation for 7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine?
The canonical SMILES for 7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine is Cc1cc(Oc2nccc3ccsc23)ccc1-c1c(C)ncc2nccn12.
What is the InChIKey of 7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine?
The InChIKey is KJUJMQIFFDWSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c1-13-11-16(26-21-20-15(5-7-23-21)6-10-27-20)3-4-17(13)19-14(2)24-12-18-22-8-9-25(18)19/h3-12H,1-2H3.
What are the key properties of 7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine?
7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine has a molecular weight of 372.45 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine is sourced from PubChem (CID 146025713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).