3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one

C23H17FN4O4 — CID 167890761

IUPAC3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one
SMILESO=c1[nH]c2c(cc1-c1noc(/C=C/c3ccc(Oc4cccnc4)c(F)c3)n1)COCC2
InChIInChI=1S/C23H17FN4O4/c24-18-10-14(3-5-20(18)31-16-2-1-8-25-12-16)4-6-21-27-22(28-32-21)17-11-15-13-30-9-7-19(15)26-23(17)29/h1-6,8,10-12H,7,9,13H2,(H,26,29)/b6-4+
InChIKeyTXZHHIVJVZCMBO-GQCTYLIASA-N
MW432.41 g/mol
LogP3.99
Rot. Bonds5

About 3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one

3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one (PubChem CID 167890761) has the molecular formula C23H17FN4O4 and a molecular weight of 432.41 g/mol. Its IUPAC name is 3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one
PubChem CID167890761
Molecular FormulaC23H17FN4O4
Molecular Weight432.41 g/mol
Exact Mass432.12
IUPAC Name3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one
SMILESO=c1[nH]c2c(cc1-c1noc(/C=C/c3ccc(Oc4cccnc4)c(F)c3)n1)COCC2
InChIInChI=1S/C23H17FN4O4/c24-18-10-14(3-5-20(18)31-16-2-1-8-25-12-16)4-6-21-27-22(28-32-21)17-11-15-13-30-9-7-19(15)26-23(17)29/h1-6,8,10-12H,7,9,13H2,(H,26,29)/b6-4+
InChIKeyTXZHHIVJVZCMBO-GQCTYLIASA-N
XLogP3.99
TPSA103.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one?
The IUPAC name of 3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one (CID 167890761) is 3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one.
What is the SMILES notation for 3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one?
The canonical SMILES for 3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one is O=c1[nH]c2c(cc1-c1noc(/C=C/c3ccc(Oc4cccnc4)c(F)c3)n1)COCC2.
What is the InChIKey of 3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one?
The InChIKey is TXZHHIVJVZCMBO-GQCTYLIASA-N. The full InChI is InChI=1S/C23H17FN4O4/c24-18-10-14(3-5-20(18)31-16-2-1-8-25-12-16)4-6-21-27-22(28-32-21)17-11-15-13-30-9-7-19(15)26-23(17)29/h1-6,8,10-12H,7,9,13H2,(H,26,29)/b6-4+.
What are the key properties of 3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one?
3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one has a molecular weight of 432.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(E)-2-(3-fluoro-4-pyridin-3-yloxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,5,7,8-tetrahydropyrano[4,3-b]pyridin-2-one is sourced from PubChem (CID 167890761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).