4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol

C18H13FN4O — CID 11347754

IUPAC4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol
SMILESOc1ccc(Cn2cnc3ncc(-c4ccc(F)cc4)nc32)cc1
InChIInChI=1S/C18H13FN4O/c19-14-5-3-13(4-6-14)16-9-20-17-18(22-16)23(11-21-17)10-12-1-7-15(24)8-2-12/h1-9,11,24H,10H2
InChIKeyXFSPUECBJISPDO-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.39
Rot. Bonds3

About 4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol

4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol (PubChem CID 11347754) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol
PubChem CID11347754
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol
SMILESOc1ccc(Cn2cnc3ncc(-c4ccc(F)cc4)nc32)cc1
InChIInChI=1S/C18H13FN4O/c19-14-5-3-13(4-6-14)16-9-20-17-18(22-16)23(11-21-17)10-12-1-7-15(24)8-2-12/h1-9,11,24H,10H2
InChIKeyXFSPUECBJISPDO-UHFFFAOYSA-N
XLogP3.39
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol?
The IUPAC name of 4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol (CID 11347754) is 4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol.
What is the SMILES notation for 4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol?
The canonical SMILES for 4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol is Oc1ccc(Cn2cnc3ncc(-c4ccc(F)cc4)nc32)cc1.
What is the InChIKey of 4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol?
The InChIKey is XFSPUECBJISPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-14-5-3-13(4-6-14)16-9-20-17-18(22-16)23(11-21-17)10-12-1-7-15(24)8-2-12/h1-9,11,24H,10H2.
What are the key properties of 4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol?
4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol has a molecular weight of 320.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol is sourced from PubChem (CID 11347754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).