1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine

C93H97N29O8 — CID 158192565

About 1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine

1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine (PubChem CID 158192565) has the molecular formula C93H97N29O8 and a molecular weight of 1748.99 g/mol. Its IUPAC name is 1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine
• PubChem CID: 158192565
• Molecular Formula: C93H97N29O8
• Molecular Weight: 1748.99 g/mol
• Exact Mass: 1747.81
• IUPAC Name: 1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine
• SMILES: CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)cc4)CCC3)no2)cn1.CC(O)CNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCN(C)c1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1cnc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cc2)cn1
• InChI: InChI=1S/C24H26N8O2.C24H26N6O2.C23H24N8O2.C22H21N7O2/c1-32(10-11-33-2)20-15-26-19(14-27-20)21-30-22(31-34-21)24(8-3-9-24)18-6-4-16(5-7-18)17-12-28-23(25)29-13-17;1-23(2,31)15-30-14-18(13-27-30)21-28-22(29-32-21)24(10-3-11-24)19-7-4-16(5-8-19)17-6-9-20(25)26-12-17;1-14(32)9-26-19-13-25-18(12-27-19)20-30-21(31-33-20)23(7-2-8-23)17-5-3-15(4-6-17)16-10-28-22(24)29-11-16;23-19-10-24-18(9-25-19)14-2-4-16(5-3-14)22(6-1-7-22)21-27-20(31-28-21)15-8-26-29(11-15)17-12-30-13-17/h4-7,12-15H,3,8-11H2,1-2H3,(H2,25,28,29);4-9,12-14,31H,3,10-11,15H2,1-2H3,(H2,25,26);3-6,10-14,32H,2,7-9H2,1H3,(H,26,27)(H2,24,28,29);2-5,8-11,17H,1,6-7,12-13H2,(H2,23,25)
• InChIKey: FZYFDUSNSLNZNG-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 511.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 26
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1748.99
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine?

The IUPAC name of 1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine (CID 158192565) is 1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine.

What is the SMILES notation for 1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine?

The canonical SMILES for 1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine is CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)cc4)CCC3)no2)cn1.CC(O)CNc1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.COCCN(C)c1cnc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1.Nc1cnc(-c2ccc(C3(c4noc(-c5cnn(C6COC6)c5)n4)CCC3)cc2)cn1.

What is the InChIKey of 1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine?

The InChIKey is FZYFDUSNSLNZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2.C24H26N6O2.C23H24N8O2.C22H21N7O2/c1-32(10-11-33-2)20-15-26-19(14-27-20)21-30-22(31-34-21)24(8-3-9-24)18-6-4-16(5-7-18)17-12-28-23(25)29-13-17;1-23(2,31)15-30-14-18(13-27-30)21-28-22(29-32-21)24(10-3-11-24)19-7-4-16(5-8-19)17-6-9-20(25)26-12-17;1-14(32)9-26-19-13-25-18(12-27-19)20-30-21(31-33-20)23(7-2-8-23)17-5-3-15(4-6-17)16-10-28-22(24)29-11-16;23-19-10-24-18(9-25-19)14-2-4-16(5-3-14)22(6-1-7-22)21-27-20(31-28-21)15-8-26-29(11-15)17-12-30-13-17/h4-7,12-15H,3,8-11H2,1-2H3,(H2,25,28,29);4-9,12-14,31H,3,10-11,15H2,1-2H3,(H2,25,26);3-6,10-14,32H,2,7-9H2,1H3,(H,26,27)(H2,24,28,29);2-5,8-11,17H,1,6-7,12-13H2,(H2,23,25).

What are the key properties of 1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine?

1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine has a molecular weight of 1748.99 g/mol, XLogP of 12.78, 26 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]propan-2-ol;5-[4-[1-[5-[5-[2-methoxyethyl(methyl)amino]pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 158192565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).