1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;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-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;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-[3-methyl-2-[5-(1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

C114H127N43O8 — CID 158488798

About 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;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-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;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-[3-methyl-2-[5-(1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;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-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;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-[3-methyl-2-[5-(1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 158488798) has the molecular formula C114H127N43O8 and a molecular weight of 2227.56 g/mol. Its IUPAC name is 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;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-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;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-[3-methyl-2-[5-(1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;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-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;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-[3-methyl-2-[5-(1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
• PubChem CID: 158488798
• Molecular Formula: C114H127N43O8
• Molecular Weight: 2227.56 g/mol
• Exact Mass: 2226.09
• IUPAC Name: 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;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-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;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-[3-methyl-2-[5-(1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
• SMILES: CC(C)(C)NC(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C3CC3)no2)cn1.CC(C)(O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1.CC(C)n1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.COCCNc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)nn1.C[C@@](c1ccc(-c2cnc(N)nc2)nc1)(c1noc(-c2cnn(CC#N)c2)n1)C1CC1
• InChI: InChI=1S/C25H29N9O2.C23H27N9O2.C23H26N8O2.C22H26N8O.C21H19N9O/c1-24(2,3)32-20(35)14-34-13-16(11-30-34)21-31-22(33-36-21)25(4,17-5-6-17)18-7-8-19(27-12-18)15-9-28-23(26)29-10-15;1-14(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;1-22(2,32)13-31-12-14(8-28-31)20-29-21(30-33-20)23(3,15-4-5-15)16-6-7-17(25-9-16)18-10-27-19(24)11-26-18;1-13(2)22(5,17-6-7-18(24-11-17)15-8-25-21(23)26-9-15)20-28-19(31-29-20)16-10-27-30(12-16)14(3)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/h7-13,17H,5-6,14H2,1-4H3,(H,32,35)(H2,26,28,29);5-8,11-14H,9-10H2,1-4H3,(H,25,31)(H2,24,27,28);6-12,15,32H,4-5,13H2,1-3H3,(H2,24,27);6-14H,1-5H3,(H2,23,25,26);4-5,8-12,15H,2-3,7H2,1H3,(H2,23,25,26)/t25-;;23-;;21-/m1.1.1/s1
• InChIKey: HILAVHXCRWLZPW-WBXFRGHPSA-N
• XLogP: 15.35
• TPSA: 709.49 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 50
• Rotatable Bonds: 35
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2227.56
LogP ≤ 5	15.35
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	50

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-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;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-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;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-[3-methyl-2-[5-(1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The IUPAC name of 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;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-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;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-[3-methyl-2-[5-(1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 158488798) is 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;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-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;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-[3-methyl-2-[5-(1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;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-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;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-[3-methyl-2-[5-(1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;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-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;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-[3-methyl-2-[5-(1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is CC(C)(C)NC(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)nc3)C3CC3)no2)cn1.CC(C)(O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)nc3)C3CC3)no2)cn1.CC(C)n1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.COCCNc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)nn1.C[C@@](c1ccc(-c2cnc(N)nc2)nc1)(c1noc(-c2cnn(CC#N)c2)n1)C1CC1.

What is the InChIKey of 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;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-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;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-[3-methyl-2-[5-(1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The InChIKey is HILAVHXCRWLZPW-WBXFRGHPSA-N. The full InChI is InChI=1S/C25H29N9O2.C23H27N9O2.C23H26N8O2.C22H26N8O.C21H19N9O/c1-24(2,3)32-20(35)14-34-13-16(11-30-34)21-31-22(33-36-21)25(4,17-5-6-17)18-7-8-19(27-12-18)15-9-28-23(26)29-10-15;1-14(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;1-22(2,32)13-31-12-14(8-28-31)20-29-21(30-33-20)23(3,15-4-5-15)16-6-7-17(25-9-16)18-10-27-19(24)11-26-18;1-13(2)22(5,17-6-7-18(24-11-17)15-8-25-21(23)26-9-15)20-28-19(31-29-20)16-10-27-30(12-16)14(3)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/h7-13,17H,5-6,14H2,1-4H3,(H,32,35)(H2,26,28,29);5-8,11-14H,9-10H2,1-4H3,(H,25,31)(H2,24,27,28);6-12,15,32H,4-5,13H2,1-3H3,(H2,24,27);6-14H,1-5H3,(H2,23,25,26);4-5,8-12,15H,2-3,7H2,1H3,(H2,23,25,26)/t25-;;23-;;21-/m1.1.1/s1.

What are the key properties of 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;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-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;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-[3-methyl-2-[5-(1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;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-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;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-[3-methyl-2-[5-(1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 2227.56 g/mol, XLogP of 15.35, 35 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;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-[4-[3-[(1R)-1-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-tert-butylacetamide;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-[3-methyl-2-[5-(1-propan-2-ylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 158488798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).