4-[5-(3-fluoroazetidin-3-yl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile

C25H24FN5O2 — CID 167429018

About 4-[5-(3-fluoroazetidin-3-yl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile

4-[5-(3-fluoroazetidin-3-yl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile (PubChem CID 167429018) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 4-[5-(3-fluoroazetidin-3-yl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile.

Molecular Properties

• Compound Name: 4-[5-(3-fluoroazetidin-3-yl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile
• PubChem CID: 167429018
• Molecular Formula: C25H24FN5O2
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.19
• IUPAC Name: 4-[5-(3-fluoroazetidin-3-yl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile
• SMILES: Cc1cc(Oc2cc(C#N)ccc2-c2ccc(C3(F)CNC3)cn2)cc(N2CCOCC2)n1
• InChI: InChI=1S/C25H24FN5O2/c1-17-10-20(12-24(30-17)31-6-8-32-9-7-31)33-23-11-18(13-27)2-4-21(23)22-5-3-19(14-29-22)25(26)15-28-16-25/h2-5,10-12,14,28H,6-9,15-16H2,1H3
• InChIKey: WPSZXCLGWFOQSJ-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 83.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluoroazetidin-3-yl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile?

The IUPAC name of 4-[5-(3-fluoroazetidin-3-yl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile (CID 167429018) is 4-[5-(3-fluoroazetidin-3-yl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile.

What is the SMILES notation for 4-[5-(3-fluoroazetidin-3-yl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile?

The canonical SMILES for 4-[5-(3-fluoroazetidin-3-yl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile is Cc1cc(Oc2cc(C#N)ccc2-c2ccc(C3(F)CNC3)cn2)cc(N2CCOCC2)n1.

What is the InChIKey of 4-[5-(3-fluoroazetidin-3-yl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile?

The InChIKey is WPSZXCLGWFOQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-17-10-20(12-24(30-17)31-6-8-32-9-7-31)33-23-11-18(13-27)2-4-21(23)22-5-3-19(14-29-22)25(26)15-28-16-25/h2-5,10-12,14,28H,6-9,15-16H2,1H3.

What are the key properties of 4-[5-(3-fluoroazetidin-3-yl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile?

4-[5-(3-fluoroazetidin-3-yl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile has a molecular weight of 445.50 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(3-fluoroazetidin-3-yl)-2-pyridinyl]-3-[(2-methyl-6-morpholin-4-yl-4-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 167429018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).