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

C18H13ClFN5O2 — CID 127031838

IUPAC3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1nc(CC(F)c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H13ClFN5O2/c19-12-5-3-11(4-6-12)14(20)8-15-23-16(27-24-15)9-25-10-22-17-13(18(25)26)2-1-7-21-17/h1-7,10,14H,8-9H2
InChIKeyPJMMWANXHNLCLA-UHFFFAOYSA-N
MW385.79 g/mol
LogP3.13
Rot. Bonds5

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

3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 127031838) has the molecular formula C18H13ClFN5O2 and a molecular weight of 385.79 g/mol. Its IUPAC name is 3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID127031838
Molecular FormulaC18H13ClFN5O2
Molecular Weight385.79 g/mol
Exact Mass385.07
IUPAC Name3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1c2cccnc2ncn1Cc1nc(CC(F)c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H13ClFN5O2/c19-12-5-3-11(4-6-12)14(20)8-15-23-16(27-24-15)9-25-10-22-17-13(18(25)26)2-1-7-21-17/h1-7,10,14H,8-9H2
InChIKeyPJMMWANXHNLCLA-UHFFFAOYSA-N
XLogP3.13
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.79
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 127031838) is 3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is O=c1c2cccnc2ncn1Cc1nc(CC(F)c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is PJMMWANXHNLCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5O2/c19-12-5-3-11(4-6-12)14(20)8-15-23-16(27-24-15)9-25-10-22-17-13(18(25)26)2-1-7-21-17/h1-7,10,14H,8-9H2.
What are the key properties of 3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 385.79 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(4-chlorophenyl)-2-fluoroethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 127031838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).