2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one

C20H16FN3O3S — CID 163253596

IUPAC2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCCOc1nc2c(cc(-c3ccc(=O)n(C)c3)c(=O)n2-c2ccc(F)cc2)s1
InChIInChI=1S/C20H16FN3O3S/c1-3-27-20-22-18-16(28-20)10-15(12-4-9-17(25)23(2)11-12)19(26)24(18)14-7-5-13(21)6-8-14/h4-11H,3H2,1-2H3
InChIKeyOIHVVRVFWGTYDZ-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.35
Rot. Bonds4

About 2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one

2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one (PubChem CID 163253596) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
PubChem CID163253596
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC Name2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one
SMILESCCOc1nc2c(cc(-c3ccc(=O)n(C)c3)c(=O)n2-c2ccc(F)cc2)s1
InChIInChI=1S/C20H16FN3O3S/c1-3-27-20-22-18-16(28-20)10-15(12-4-9-17(25)23(2)11-12)19(26)24(18)14-7-5-13(21)6-8-14/h4-11H,3H2,1-2H3
InChIKeyOIHVVRVFWGTYDZ-UHFFFAOYSA-N
XLogP3.35
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
The IUPAC name of 2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one (CID 163253596) is 2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one.
What is the SMILES notation for 2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
The canonical SMILES for 2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one is CCOc1nc2c(cc(-c3ccc(=O)n(C)c3)c(=O)n2-c2ccc(F)cc2)s1.
What is the InChIKey of 2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
The InChIKey is OIHVVRVFWGTYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-3-27-20-22-18-16(28-20)10-15(12-4-9-17(25)23(2)11-12)19(26)24(18)14-7-5-13(21)6-8-14/h4-11H,3H2,1-2H3.
What are the key properties of 2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one?
2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one has a molecular weight of 397.43 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(4-fluorophenyl)-6-(1-methyl-6-oxo-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-5-one is sourced from PubChem (CID 163253596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).