2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]amino]ethanol;6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

C104H121N41O8 — CID 159174669

About 2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]amino]ethanol;6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]amino]ethanol;6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 159174669) has the molecular formula C104H121N41O8 and a molecular weight of 2073.39 g/mol. Its IUPAC name is 2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]amino]ethanol;6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]amino]ethanol;6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
• PubChem CID: 159174669
• Molecular Formula: C104H121N41O8
• Molecular Weight: 2073.39 g/mol
• Exact Mass: 2072.03
• IUPAC Name: 2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]amino]ethanol;6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
• SMILES: CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(N2CCNCC2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(NCCO)n1.COCCNc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)nn1.COCCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.C[C@@](c1ccc(-c2cnc(N)nc2)nc1)(c1noc(-c2cnn(CC#N)c2)n1)C1CC1
• InChI: InChI=1S/C23H27N9O2.C22H26N8O2.C21H19N9O.C20H26N8O.C18H23N7O2/c1-14(2)23(3,16-5-6-17(26-13-16)15-11-27-22(24)28-12-15)21-29-20(34-32-21)18-7-8-19(31-30-18)25-9-10-33-4;1-14(2)22(3,17-5-6-18(24-12-17)15-9-25-21(23)26-10-15)20-28-19(32-29-20)16-11-27-30(13-16)7-8-31-4;1-21(15-2-3-15,16-4-5-17(24-11-16)13-8-25-20(23)26-9-13)19-28-18(31-29-19)14-10-27-30(12-14)7-6-22;1-13(2)20(3,17-26-19(29-27-17)28-8-6-22-7-9-28)15-4-5-16(23-12-15)14-10-24-18(21)25-11-14;1-11(2)18(3,15-24-17(27-25-15)20-6-7-26)13-4-5-14(21-10-13)12-8-22-16(19)23-9-12/h5-8,11-14H,9-10H2,1-4H3,(H,25,31)(H2,24,27,28);5-6,9-14H,7-8H2,1-4H3,(H2,23,25,26);4-5,8-12,15H,2-3,7H2,1H3,(H2,23,25,26);4-5,10-13,22H,6-9H2,1-3H3,(H2,21,24,25);4-5,8-11,26H,6-7H2,1-3H3,(H2,19,22,23)(H,20,24,25)/t;22-;21-;;/m.11../s1
• InChIKey: KMCVXFDBNJALTJ-CZTPQOLQSA-N
• XLogP: 12.31
• TPSA: 681.28 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 49
• Rotatable Bonds: 35
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2073.39
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]amino]ethanol;6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The IUPAC name of 2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]amino]ethanol;6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 159174669) is 2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]amino]ethanol;6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for 2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]amino]ethanol;6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for 2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]amino]ethanol;6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(N2CCNCC2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(NCCO)n1.COCCNc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)nn1.COCCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.C[C@@](c1ccc(-c2cnc(N)nc2)nc1)(c1noc(-c2cnn(CC#N)c2)n1)C1CC1.

What is the InChIKey of 2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]amino]ethanol;6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The InChIKey is KMCVXFDBNJALTJ-CZTPQOLQSA-N. The full InChI is InChI=1S/C23H27N9O2.C22H26N8O2.C21H19N9O.C20H26N8O.C18H23N7O2/c1-14(2)23(3,16-5-6-17(26-13-16)15-11-27-22(24)28-12-15)21-29-20(34-32-21)18-7-8-19(31-30-18)25-9-10-33-4;1-14(2)22(3,17-5-6-18(24-12-17)15-9-25-21(23)26-10-15)20-28-19(32-29-20)16-11-27-30(13-16)7-8-31-4;1-21(15-2-3-15,16-4-5-17(24-11-16)13-8-25-20(23)26-9-13)19-28-18(31-29-19)14-10-27-30(12-14)7-6-22;1-13(2)20(3,17-26-19(29-27-17)28-8-6-22-7-9-28)15-4-5-16(23-12-15)14-10-24-18(21)25-11-14;1-11(2)18(3,15-24-17(27-25-15)20-6-7-26)13-4-5-14(21-10-13)12-8-22-16(19)23-9-12/h5-8,11-14H,9-10H2,1-4H3,(H,25,31)(H2,24,27,28);5-6,9-14H,7-8H2,1-4H3,(H2,23,25,26);4-5,8-12,15H,2-3,7H2,1H3,(H2,23,25,26);4-5,10-13,22H,6-9H2,1-3H3,(H2,21,24,25);4-5,8-11,26H,6-7H2,1-3H3,(H2,19,22,23)(H,20,24,25)/t;22-;21-;;/m.11../s1.

What are the key properties of 2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]amino]ethanol;6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]amino]ethanol;6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 2073.39 g/mol, XLogP of 12.31, 35 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;2-[[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]amino]ethanol;6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)pyridazin-3-amine;5-[5-[(2R)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[3-methyl-2-(5-piperazin-1-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 159174669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).