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
SMILESCC1=C(C=CC(=C1)OC2=NC=CC3=C2SC=C3)C4=C(N=CC5=NC=CN54)C
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
MW372.40 g/mol
LogP4.90
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 372.40 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 Weight372.40 g/mol
Exact Mass372.10
IUPAC Name7-[3-methyl-4-(6-methylimidazo[1,2-a]pyrazin-5-yl)phenoxy]thieno[2,3-c]pyridine
SMILESCC1=C(C=CC(=C1)OC2=NC=CC3=C2SC=C3)C4=C(N=CC5=NC=CN54)C
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
XLogP4.90
TPSA80.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity522

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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 CC1=C(C=CC(=C1)OC2=NC=CC3=C2SC=C3)C4=C(N=CC5=NC=CN54)C.
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 372.40 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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).