4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol

C16H12N4OS — CID 11347373

IUPAC4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol
SMILESOc1ccc(Cn2cnc3ncc(-c4cccs4)nc32)cc1
InChIInChI=1S/C16H12N4OS/c21-12-5-3-11(4-6-12)9-20-10-18-15-16(20)19-13(8-17-15)14-2-1-7-22-14/h1-8,10,21H,9H2
InChIKeyBZKMVPNSSFDJPN-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.31
Rot. Bonds3

About 4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol

4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol (PubChem CID 11347373) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol
PubChem CID11347373
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol
SMILESOc1ccc(Cn2cnc3ncc(-c4cccs4)nc32)cc1
InChIInChI=1S/C16H12N4OS/c21-12-5-3-11(4-6-12)9-20-10-18-15-16(20)19-13(8-17-15)14-2-1-7-22-14/h1-8,10,21H,9H2
InChIKeyBZKMVPNSSFDJPN-UHFFFAOYSA-N
XLogP3.31
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol?
The IUPAC name of 4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol (CID 11347373) is 4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol is Oc1ccc(Cn2cnc3ncc(-c4cccs4)nc32)cc1.
What is the InChIKey of 4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol?
The InChIKey is BZKMVPNSSFDJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c21-12-5-3-11(4-6-12)9-20-10-18-15-16(20)19-13(8-17-15)14-2-1-7-22-14/h1-8,10,21H,9H2.
What are the key properties of 4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol?
4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol has a molecular weight of 308.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol is sourced from PubChem (CID 11347373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).