3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

C20H16FN5O3 — CID 142421484

IUPAC3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1nc(C2CC(Oc3cccc(F)c3)C2)no1
InChIInChI=1S/C20H16FN5O3/c21-13-3-1-4-14(9-13)28-15-7-12(8-15)18-24-17(29-25-18)10-26-11-23-19-16(20(26)27)5-2-6-22-19/h1-6,9,11-12,15H,7-8,10H2
InChIKeyCMMHGQMDAWNUJF-UHFFFAOYSA-N
MW393.38 g/mol
LogP2.69
Rot. Bonds5

About 3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one

3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 142421484) has the molecular formula C20H16FN5O3 and a molecular weight of 393.38 g/mol. Its IUPAC name is 3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID142421484
Molecular FormulaC20H16FN5O3
Molecular Weight393.38 g/mol
Exact Mass393.12
IUPAC Name3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1nc(C2CC(Oc3cccc(F)c3)C2)no1
InChIInChI=1S/C20H16FN5O3/c21-13-3-1-4-14(9-13)28-15-7-12(8-15)18-24-17(29-25-18)10-26-11-23-19-16(20(26)27)5-2-6-22-19/h1-6,9,11-12,15H,7-8,10H2
InChIKeyCMMHGQMDAWNUJF-UHFFFAOYSA-N
XLogP2.69
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 142421484) is 3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is O=c1c2cccnc2ncn1Cc1nc(C2CC(Oc3cccc(F)c3)C2)no1.
What is the InChIKey of 3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is CMMHGQMDAWNUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3/c21-13-3-1-4-14(9-13)28-15-7-12(8-15)18-24-17(29-25-18)10-26-11-23-19-16(20(26)27)5-2-6-22-19/h1-6,9,11-12,15H,7-8,10H2.
What are the key properties of 3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 393.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[3-(3-fluorophenoxy)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 142421484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).