1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]-3-methylpyrazin-2-amine

C96H110N28O7 — CID 158922537

About 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]-3-methylpyrazin-2-amine

1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]-3-methylpyrazin-2-amine (PubChem CID 158922537) has the molecular formula C96H110N28O7 and a molecular weight of 1768.12 g/mol. Its IUPAC name is 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]-3-methylpyrazin-2-amine.

Molecular Properties

• Compound Name: 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]-3-methylpyrazin-2-amine
• PubChem CID: 158922537
• Molecular Formula: C96H110N28O7
• Molecular Weight: 1768.12 g/mol
• Exact Mass: 1766.91
• IUPAC Name: 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]-3-methylpyrazin-2-amine
• SMILES: CC(C)(O)CNc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(N2CCN(CCO)CC2)n1.COCCNc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.Cc1nc(-c2ccc([C@](C)(c3noc(-c4cnn(C)c4)n3)C3CC3)cc2)cnc1N
• InChI: InChI=1S/C26H29N7O2.C25H27N7O2.C23H31N7O2.C22H23N7O/c1-25(2,34)15-31-21-11-6-17(12-28-21)22-32-23(33-35-22)26(3,20-9-10-20)19-7-4-16(5-8-19)18-13-29-24(27)30-14-18;1-25(20-8-9-20,19-6-3-16(4-7-19)18-14-29-24(26)30-15-18)23-31-22(34-32-23)17-5-10-21(28-13-17)27-11-12-33-2;1-16(2)23(3,19-6-4-17(5-7-19)18-14-25-21(24)26-15-18)20-27-22(32-28-20)30-10-8-29(9-11-30)12-13-31;1-13-19(23)24-11-18(26-13)14-4-6-16(7-5-14)22(2,17-8-9-17)21-27-20(30-28-21)15-10-25-29(3)12-15/h4-8,11-14,20,34H,9-10,15H2,1-3H3,(H,28,31)(H2,27,29,30);3-7,10,13-15,20H,8-9,11-12H2,1-2H3,(H,27,28)(H2,26,29,30);4-7,14-16,31H,8-13H2,1-3H3,(H2,24,25,26);4-7,10-12,17H,8-9H2,1-3H3,(H2,23,24)/t;;;22-/m...0/s1
• InChIKey: JIACRKZQFONGLN-PVGXOACXSA-N
• XLogP: 13.73
• TPSA: 486.71 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 29
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1768.12
LogP ≤ 5	13.73
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]-3-methylpyrazin-2-amine?

The IUPAC name of 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]-3-methylpyrazin-2-amine (CID 158922537) is 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]-3-methylpyrazin-2-amine.

What is the SMILES notation for 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]-3-methylpyrazin-2-amine?

The canonical SMILES for 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]-3-methylpyrazin-2-amine is CC(C)(O)CNc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(N2CCN(CCO)CC2)n1.COCCNc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.Cc1nc(-c2ccc([C@](C)(c3noc(-c4cnn(C)c4)n3)C3CC3)cc2)cnc1N.

What is the InChIKey of 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]-3-methylpyrazin-2-amine?

The InChIKey is JIACRKZQFONGLN-PVGXOACXSA-N. The full InChI is InChI=1S/C26H29N7O2.C25H27N7O2.C23H31N7O2.C22H23N7O/c1-25(2,34)15-31-21-11-6-17(12-28-21)22-32-23(33-35-22)26(3,20-9-10-20)19-7-4-16(5-8-19)18-13-29-24(27)30-14-18;1-25(20-8-9-20,19-6-3-16(4-7-19)18-14-29-24(26)30-15-18)23-31-22(34-32-23)17-5-10-21(28-13-17)27-11-12-33-2;1-16(2)23(3,19-6-4-17(5-7-19)18-14-25-21(24)26-15-18)20-27-22(32-28-20)30-10-8-29(9-11-30)12-13-31;1-13-19(23)24-11-18(26-13)14-4-6-16(7-5-14)22(2,17-8-9-17)21-27-20(30-28-21)15-10-25-29(3)12-15/h4-8,11-14,20,34H,9-10,15H2,1-3H3,(H,28,31)(H2,27,29,30);3-7,10,13-15,20H,8-9,11-12H2,1-2H3,(H,27,28)(H2,26,29,30);4-7,14-16,31H,8-13H2,1-3H3,(H2,24,25,26);4-7,10-12,17H,8-9H2,1-3H3,(H2,23,24)/t;;;22-/m...0/s1.

What are the key properties of 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]-3-methylpyrazin-2-amine?

1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]-3-methylpyrazin-2-amine has a molecular weight of 1768.12 g/mol, XLogP of 13.73, 29 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-2-methylpropan-2-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]-3-methylpyrazin-2-amine is sourced from PubChem (CID 158922537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).