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

C23H24N8O2 — CID 66828218

IUPAC2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol
SMILESCN(CCO)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C23H24N8O2/c1-31(9-10-32)19-6-3-15(11-26-19)20-29-21(30-33-20)23(7-2-8-23)17-4-5-18(25-14-17)16-12-27-22(24)28-13-16/h3-6,11-14,32H,2,7-10H2,1H3,(H2,24,27,28)
InChIKeyLVUKGWNFLMYVBR-UHFFFAOYSA-N
MW444.50 g/mol
LogP2.46
Rot. Bonds7

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

2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol (PubChem CID 66828218) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 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]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol
PubChem CID66828218
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol
SMILESCN(CCO)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C23H24N8O2/c1-31(9-10-32)19-6-3-15(11-26-19)20-29-21(30-33-20)23(7-2-8-23)17-4-5-18(25-14-17)16-12-27-22(24)28-13-16/h3-6,11-14,32H,2,7-10H2,1H3,(H2,24,27,28)
InChIKeyLVUKGWNFLMYVBR-UHFFFAOYSA-N
XLogP2.46
TPSA139.97 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[3-[1-[6-(2-Aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-1-ol
CID 56944323
5-[4-[1-(5-Pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 68074929
(1-{5-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-2-piperidinyl)methanol
CID 45183809
[1-[5-[3-(2-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-2-yl]methanol
CID 45226955
2-[4-(5-{3-[3-(Trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-YL}pyridin-2-YL)piperazin-1-YL]ethanol
CID 70724909
5-[5-[1-[5-(6-Piperazin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943733
5-[5-[1-[5-(2-Methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943735
5-[5-[1-[5-(4-Methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943737
5-[5-[1-[5-(3-Methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943738
5-[5-[1-(5-Pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943831
5-[5-[1-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943832
5-[5-[1-[5-(4-Chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943833

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]-methylamino]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]-methylamino]ethanol (CID 66828218) is 2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]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]-methylamino]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]-methylamino]ethanol is CN(CCO)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)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]-methylamino]ethanol?
The InChIKey is LVUKGWNFLMYVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-31(9-10-32)19-6-3-15(11-26-19)20-29-21(30-33-20)23(7-2-8-23)17-4-5-18(25-14-17)16-12-27-22(24)28-13-16/h3-6,11-14,32H,2,7-10H2,1H3,(H2,24,27,28).
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]-methylamino]ethanol?
2-[[5-[3-[1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-methylamino]ethanol has a molecular weight of 444.50 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 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]-methylamino]ethanol is sourced from PubChem (CID 66828218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).