3-[[3-[3-fluoro-3-(4-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile

C22H16F2N6O2 — CID 142422132

About 3-[[3-[3-fluoro-3-(4-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile

3-[[3-[3-fluoro-3-(4-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile (PubChem CID 142422132) has the molecular formula C22H16F2N6O2 and a molecular weight of 434.41 g/mol. Its IUPAC name is 3-[[3-[3-fluoro-3-(4-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile.

Molecular Properties

• Compound Name: 3-[[3-[3-fluoro-3-(4-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile
• PubChem CID: 142422132
• Molecular Formula: C22H16F2N6O2
• Molecular Weight: 434.41 g/mol
• Exact Mass: 434.13
• IUPAC Name: 3-[[3-[3-fluoro-3-(4-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile
• SMILES: Cc1cc(C#N)nc2ncn(Cc3nc(C4CC(F)(c5ccc(F)cc5)C4)no3)c(=O)c12
• InChI: InChI=1S/C22H16F2N6O2/c1-12-6-16(9-25)27-20-18(12)21(31)30(11-26-20)10-17-28-19(29-32-17)13-7-22(24,8-13)14-2-4-15(23)5-3-14/h2-6,11,13H,7-8,10H2,1H3
• InChIKey: YVRAGDOGHOFVAV-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 110.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.41
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[3-fluoro-3-(4-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile?

The IUPAC name of 3-[[3-[3-fluoro-3-(4-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile (CID 142422132) is 3-[[3-[3-fluoro-3-(4-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile.

What is the SMILES notation for 3-[[3-[3-fluoro-3-(4-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile?

The canonical SMILES for 3-[[3-[3-fluoro-3-(4-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile is Cc1cc(C#N)nc2ncn(Cc3nc(C4CC(F)(c5ccc(F)cc5)C4)no3)c(=O)c12.

What is the InChIKey of 3-[[3-[3-fluoro-3-(4-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile?

The InChIKey is YVRAGDOGHOFVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O2/c1-12-6-16(9-25)27-20-18(12)21(31)30(11-26-20)10-17-28-19(29-32-17)13-7-22(24,8-13)14-2-4-15(23)5-3-14/h2-6,11,13H,7-8,10H2,1H3.

What are the key properties of 3-[[3-[3-fluoro-3-(4-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile?

3-[[3-[3-fluoro-3-(4-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile has a molecular weight of 434.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-[3-fluoro-3-(4-fluorophenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 142422132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).