2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole

C21H13FN4OS — CID 163372234

IUPAC2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole
SMILESCc1cnc(-c2ccc3nc(-c4ccc(F)cc4)c(-c4cccs4)nc3n2)o1
InChIInChI=1S/C21H13FN4OS/c1-12-11-23-21(27-12)16-9-8-15-20(25-16)26-19(17-3-2-10-28-17)18(24-15)13-4-6-14(22)7-5-13/h2-11H,1H3
InChIKeyVOVPMWURGFFGBQ-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.52
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole

2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole (PubChem CID 163372234) has the molecular formula C21H13FN4OS and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole
PubChem CID163372234
Molecular FormulaC21H13FN4OS
Molecular Weight388.43 g/mol
Exact Mass388.08
IUPAC Name2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole
SMILESCc1cnc(-c2ccc3nc(-c4ccc(F)cc4)c(-c4cccs4)nc3n2)o1
InChIInChI=1S/C21H13FN4OS/c1-12-11-23-21(27-12)16-9-8-15-20(25-16)26-19(17-3-2-10-28-17)18(24-15)13-4-6-14(22)7-5-13/h2-11H,1H3
InChIKeyVOVPMWURGFFGBQ-UHFFFAOYSA-N
XLogP5.52
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole (CID 163372234) is 2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole is Cc1cnc(-c2ccc3nc(-c4ccc(F)cc4)c(-c4cccs4)nc3n2)o1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole?
The InChIKey is VOVPMWURGFFGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4OS/c1-12-11-23-21(27-12)16-9-8-15-20(25-16)26-19(17-3-2-10-28-17)18(24-15)13-4-6-14(22)7-5-13/h2-11H,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole?
2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole has a molecular weight of 388.43 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-3-thiophen-2-ylpyrido[2,3-b]pyrazin-6-yl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 163372234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).