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

C20H23N7O2 — CID 66825847

IUPAC1-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESNc1ncc(-c2ccc(C3(c4noc(N5CCC(O)CC5)n4)CCC3)cn2)cn1
InChIInChI=1S/C20H23N7O2/c21-18-23-10-13(11-24-18)16-3-2-14(12-22-16)20(6-1-7-20)17-25-19(29-26-17)27-8-4-15(28)5-9-27/h2-3,10-12,15,28H,1,4-9H2,(H2,21,23,24)
InChIKeyUBBBCORMCZKJOS-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.93
Rot. Bonds4

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

1-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol (PubChem CID 66825847) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
PubChem CID66825847
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name1-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol
SMILESNc1ncc(-c2ccc(C3(c4noc(N5CCC(O)CC5)n4)CCC3)cn2)cn1
InChIInChI=1S/C20H23N7O2/c21-18-23-10-13(11-24-18)16-3-2-14(12-22-16)20(6-1-7-20)17-25-19(29-26-17)27-8-4-15(28)5-9-27/h2-3,10-12,15,28H,1,4-9H2,(H2,21,23,24)
InChIKeyUBBBCORMCZKJOS-UHFFFAOYSA-N
XLogP1.93
TPSA127.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The IUPAC name of 1-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol (CID 66825847) is 1-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The canonical SMILES for 1-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol is Nc1ncc(-c2ccc(C3(c4noc(N5CCC(O)CC5)n4)CCC3)cn2)cn1.
What is the InChIKey of 1-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
The InChIKey is UBBBCORMCZKJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c21-18-23-10-13(11-24-18)16-3-2-14(12-22-16)20(6-1-7-20)17-25-19(29-26-17)27-8-4-15(28)5-9-27/h2-3,10-12,15,28H,1,4-9H2,(H2,21,23,24).
What are the key properties of 1-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol?
1-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol has a molecular weight of 393.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol is sourced from PubChem (CID 66825847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).