1-[4-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[2-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyridinyl]pyrimidin-2-amine

C106H113N41O8 — CID 162253182

About 1-[4-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[2-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyridinyl]pyrimidin-2-amine

1-[4-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[2-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 162253182) has the molecular formula C106H113N41O8 and a molecular weight of 2089.35 g/mol. Its IUPAC name is 1-[4-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[2-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[4-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[2-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyridinyl]pyrimidin-2-amine
• PubChem CID: 162253182
• Molecular Formula: C106H113N41O8
• Molecular Weight: 2089.35 g/mol
• Exact Mass: 2087.97
• IUPAC Name: 1-[4-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[2-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyridinyl]pyrimidin-2-amine
• SMILES: CC(C)(O)Cn1cc(-c2nc(C(C)(C)c3ccc(-c4cnc(N)nc4)nc3)no2)cn1.CC(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cn[nH]c2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(C3COC3)c2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn3cccnc23)n1.COCCCc1cnc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1
• InChI: InChI=1S/C24H28N8O2.C22H21N9O.C22H24N8O2.C21H24N8O2.C17H16N8O/c1-15(2)24(3,17-7-8-19(27-12-17)16-10-29-23(25)30-11-16)22-31-21(34-32-22)20-14-26-18(13-28-20)6-5-9-33-4;1-13(2)22(3,15-5-6-17(25-11-15)14-9-26-21(23)27-10-14)20-29-19(32-30-20)16-12-28-31-8-4-7-24-18(16)31;1-13(2)22(3,16-4-5-18(24-9-16)14-6-25-21(23)26-7-14)20-28-19(32-29-20)15-8-27-30(10-15)17-11-31-12-17;1-20(2,30)12-29-11-14(9-26-29)17-27-18(28-31-17)21(3,4)15-5-6-16(23-10-15)13-7-24-19(22)25-8-13;1-17(2,15-24-14(26-25-15)11-7-22-23-8-11)12-3-4-13(19-9-12)10-5-20-16(18)21-6-10/h7-8,10-15H,5-6,9H2,1-4H3,(H2,25,29,30);4-13H,1-3H3,(H2,23,26,27);4-10,13,17H,11-12H2,1-3H3,(H2,23,25,26);5-11,30H,12H2,1-4H3,(H2,22,24,25);3-9H,1-2H3,(H,22,23)(H2,18,20,21)
• InChIKey: ZYGGEBOOGJOTTK-UHFFFAOYSA-N
• XLogP: 14.26
• TPSA: 677.03 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 48
• Rotatable Bonds: 30
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2089.35
LogP ≤ 5	14.26
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[2-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The IUPAC name of 1-[4-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[2-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 162253182) is 1-[4-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[2-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for 1-[4-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[2-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for 1-[4-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[2-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyridinyl]pyrimidin-2-amine is CC(C)(O)Cn1cc(-c2nc(C(C)(C)c3ccc(-c4cnc(N)nc4)nc3)no2)cn1.CC(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cn[nH]c2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(C3COC3)c2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn3cccnc23)n1.COCCCc1cnc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.

What is the InChIKey of 1-[4-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[2-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The InChIKey is ZYGGEBOOGJOTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O2.C22H21N9O.C22H24N8O2.C21H24N8O2.C17H16N8O/c1-15(2)24(3,17-7-8-19(27-12-17)16-10-29-23(25)30-11-16)22-31-21(34-32-22)20-14-26-18(13-28-20)6-5-9-33-4;1-13(2)22(3,15-5-6-17(25-11-15)14-9-26-21(23)27-10-14)20-29-19(32-30-20)16-12-28-31-8-4-7-24-18(16)31;1-13(2)22(3,16-4-5-18(24-9-16)14-6-25-21(23)26-7-14)20-28-19(32-29-20)15-8-27-30(10-15)17-11-31-12-17;1-20(2,30)12-29-11-14(9-26-29)17-27-18(28-31-17)21(3,4)15-5-6-16(23-10-15)13-7-24-19(22)25-8-13;1-17(2,15-24-14(26-25-15)11-7-22-23-8-11)12-3-4-13(19-9-12)10-5-20-16(18)21-6-10/h7-8,10-15H,5-6,9H2,1-4H3,(H2,25,29,30);4-13H,1-3H3,(H2,23,26,27);4-10,13,17H,11-12H2,1-3H3,(H2,23,25,26);5-11,30H,12H2,1-4H3,(H2,22,24,25);3-9H,1-2H3,(H,22,23)(H2,18,20,21).

What are the key properties of 1-[4-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[2-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

1-[4-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[2-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 2089.35 g/mol, XLogP of 14.26, 30 rotatable bonds, 7 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]propan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[5-[2-[5-[5-(3-methoxypropyl)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-pyrazolo[1,5-a]pyrimidin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 162253182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).