[7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

C23H20ClN5O2 — CID 139504846

About [7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

[7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (PubChem CID 139504846) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is [7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.

Molecular Properties

• Compound Name: [7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
• PubChem CID: 139504846
• Molecular Formula: C23H20ClN5O2
• Molecular Weight: 433.90 g/mol
• Exact Mass: 433.13
• IUPAC Name: [7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
• SMILES: Cc1cnc(C(=O)N2CC3CC34CC(Oc3ccc(Cl)cn3)C24)c(-c2ncccn2)c1
• InChI: InChI=1S/C23H20ClN5O2/c1-13-7-16(21-25-5-2-6-26-21)19(28-10-13)22(30)29-12-14-8-23(14)9-17(20(23)29)31-18-4-3-15(24)11-27-18/h2-7,10-11,14,17,20H,8-9,12H2,1H3
• InChIKey: FERCIURXFSOMDL-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 81.10 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.90
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?

The IUPAC name of [7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (CID 139504846) is [7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.

What is the SMILES notation for [7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?

The canonical SMILES for [7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is Cc1cnc(C(=O)N2CC3CC34CC(Oc3ccc(Cl)cn3)C24)c(-c2ncccn2)c1.

What is the InChIKey of [7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?

The InChIKey is FERCIURXFSOMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-13-7-16(21-25-5-2-6-26-21)19(28-10-13)22(30)29-12-14-8-23(14)9-17(20(23)29)31-18-4-3-15(24)11-27-18/h2-7,10-11,14,17,20H,8-9,12H2,1H3.

What are the key properties of [7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?

[7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone has a molecular weight of 433.90 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [7-[(5-chloro-2-pyridinyl)oxy]-5-azatricyclo[4.2.0.01,3]octan-5-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 139504846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).