2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]ethanol

C22H22N8O2 — CID 66828217

About 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]ethanol

2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]ethanol (PubChem CID 66828217) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]ethanol
• PubChem CID: 66828217
• Molecular Formula: C22H22N8O2
• Molecular Weight: 430.47 g/mol
• Exact Mass: 430.19
• IUPAC Name: 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]ethanol
• SMILES: Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(NCCO)nc5)n4)CCC3)cn2)cn1
• InChI: InChI=1S/C22H22N8O2/c23-21-27-11-15(12-28-21)17-4-3-16(13-25-17)22(6-1-7-22)20-29-19(32-30-20)14-2-5-18(26-10-14)24-8-9-31/h2-5,10-13,31H,1,6-9H2,(H,24,26)(H2,23,27,28)
• InChIKey: GDFNFNBFOVSJBQ-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 148.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.47
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]ethanol?

The IUPAC name of 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]ethanol (CID 66828217) is 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]ethanol.

What is the SMILES notation for 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]ethanol?

The canonical SMILES for 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]ethanol is Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(NCCO)nc5)n4)CCC3)cn2)cn1.

What is the InChIKey of 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]ethanol?

The InChIKey is GDFNFNBFOVSJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2/c23-21-27-11-15(12-28-21)17-4-3-16(13-25-17)22(6-1-7-22)20-29-19(32-30-20)14-2-5-18(26-10-14)24-8-9-31/h2-5,10-13,31H,1,6-9H2,(H,24,26)(H2,23,27,28).

What are the key properties of 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]ethanol?

2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]ethanol has a molecular weight of 430.47 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 66828217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).