(3R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol

C24H24N8O2 — CID 56944519

About (3R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol

(3R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol (PubChem CID 56944519) has the molecular formula C24H24N8O2 and a molecular weight of 456.51 g/mol. Its IUPAC name is (3R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol
• PubChem CID: 56944519
• Molecular Formula: C24H24N8O2
• Molecular Weight: 456.51 g/mol
• Exact Mass: 456.20
• IUPAC Name: (3R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol
• SMILES: Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CC[C@@H](O)C6)nc5)n4)CCC3)cn2)cn1
• InChI: InChI=1S/C24H24N8O2/c25-23-28-11-16(12-29-23)19-4-3-17(13-26-19)24(7-1-8-24)22-30-21(34-31-22)15-2-5-20(27-10-15)32-9-6-18(33)14-32/h2-5,10-13,18,33H,1,6-9,14H2,(H2,25,28,29)/t18-/m1/s1
• InChIKey: DOLUEZAZIQUQJF-GOSISDBHSA-N
• XLogP: 2.61
• TPSA: 139.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.51
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of (3R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol (CID 56944519) is (3R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol.

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

The canonical SMILES for (3R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol is Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(N6CC[C@@H](O)C6)nc5)n4)CCC3)cn2)cn1.

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

The InChIKey is DOLUEZAZIQUQJF-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N8O2/c25-23-28-11-16(12-29-23)19-4-3-17(13-26-19)24(7-1-8-24)22-30-21(34-31-22)15-2-5-20(27-10-15)32-9-6-18(33)14-32/h2-5,10-13,18,33H,1,6-9,14H2,(H2,25,28,29)/t18-/m1/s1.

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

(3R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol has a molecular weight of 456.51 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]pyrrolidin-3-ol is sourced from PubChem (CID 56944519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).