6-amino-3-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazine-2-carbonitrile;2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine

C116H120N42O9 — CID 160811887

About 6-amino-3-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazine-2-carbonitrile;2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine

6-amino-3-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazine-2-carbonitrile;2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine (PubChem CID 160811887) has the molecular formula C116H120N42O9 and a molecular weight of 2246.52 g/mol. Its IUPAC name is 6-amino-3-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazine-2-carbonitrile;2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 6-amino-3-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazine-2-carbonitrile;2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine
• PubChem CID: 160811887
• Molecular Formula: C116H120N42O9
• Molecular Weight: 2246.52 g/mol
• Exact Mass: 2245.02
• IUPAC Name: 6-amino-3-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazine-2-carbonitrile;2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine
• SMILES: CC(C)(O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4ncc(N)nc4C#N)nc3)C3CC3)no2)cn1.CNc1cnc(-c2ccc([C@](C)(c3noc(-c4cnn(C5CCOCC5)c4)n3)C3CC3)cn2)cn1.C[C@@](c1ccc(-c2cnc(N)cn2)nc1)(c1noc(-c2cnn(C3CCOCC3)c2)n1)C1CC1.C[C@@](c1ccc(-c2cnc(N)cn2)nc1)(c1noc(-c2cnn(C3COC3)c2)n1)C1CC1.C[C@@](c1ccc(-c2cnc(N)cn2)nc1)(c1noc(-c2cnn(CC#N)c2)n1)C1CC1
• InChI: InChI=1S/C25H28N8O2.C24H25N9O2.C24H26N8O2.C22H22N8O2.C21H19N9O/c1-25(17-3-4-17,18-5-6-20(27-12-18)21-13-29-22(26-2)14-28-21)24-31-23(35-32-24)16-11-30-33(15-16)19-7-9-34-10-8-19;1-23(2,34)13-33-12-14(9-29-33)21-31-22(32-35-21)24(3,15-4-5-15)16-6-7-17(27-10-16)20-18(8-25)30-19(26)11-28-20;1-24(16-2-3-16,17-4-5-19(26-11-17)20-12-28-21(25)13-27-20)23-30-22(34-31-23)15-10-29-32(14-15)18-6-8-33-9-7-18;1-22(14-2-3-14,15-4-5-17(24-7-15)18-8-26-19(23)9-25-18)21-28-20(32-29-21)13-6-27-30(10-13)16-11-31-12-16;1-21(14-2-3-14,15-4-5-16(24-9-15)17-10-26-18(23)11-25-17)20-28-19(31-29-20)13-8-27-30(12-13)7-6-22/h5-6,11-15,17,19H,3-4,7-10H2,1-2H3,(H,26,29);6-7,9-12,15,34H,4-5,13H2,1-3H3,(H2,26,30);4-5,10-14,16,18H,2-3,6-9H2,1H3,(H2,25,28);4-10,14,16H,2-3,11-12H2,1H3,(H2,23,26);4-5,8-12,14H,2-3,7H2,1H3,(H2,23,26)/t25-;2*24-;22-;21-/m11111/s1
• InChIKey: SEKAVMDRPPNQDS-DILGJVPSSA-N
• XLogP: 15.32
• TPSA: 688.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 51
• Rotatable Bonds: 32
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2246.52
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	51

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazine-2-carbonitrile;2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine?

The IUPAC name of 6-amino-3-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazine-2-carbonitrile;2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine (CID 160811887) is 6-amino-3-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazine-2-carbonitrile;2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine.

What is the SMILES notation for 6-amino-3-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazine-2-carbonitrile;2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine?

The canonical SMILES for 6-amino-3-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazine-2-carbonitrile;2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine is CC(C)(O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4ncc(N)nc4C#N)nc3)C3CC3)no2)cn1.CNc1cnc(-c2ccc([C@](C)(c3noc(-c4cnn(C5CCOCC5)c4)n3)C3CC3)cn2)cn1.C[C@@](c1ccc(-c2cnc(N)cn2)nc1)(c1noc(-c2cnn(C3CCOCC3)c2)n1)C1CC1.C[C@@](c1ccc(-c2cnc(N)cn2)nc1)(c1noc(-c2cnn(C3COC3)c2)n1)C1CC1.C[C@@](c1ccc(-c2cnc(N)cn2)nc1)(c1noc(-c2cnn(CC#N)c2)n1)C1CC1.

What is the InChIKey of 6-amino-3-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazine-2-carbonitrile;2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine?

The InChIKey is SEKAVMDRPPNQDS-DILGJVPSSA-N. The full InChI is InChI=1S/C25H28N8O2.C24H25N9O2.C24H26N8O2.C22H22N8O2.C21H19N9O/c1-25(17-3-4-17,18-5-6-20(27-12-18)21-13-29-22(26-2)14-28-21)24-31-23(35-32-24)16-11-30-33(15-16)19-7-9-34-10-8-19;1-23(2,34)13-33-12-14(9-29-33)21-31-22(32-35-21)24(3,15-4-5-15)16-6-7-17(27-10-16)20-18(8-25)30-19(26)11-28-20;1-24(16-2-3-16,17-4-5-19(26-11-17)20-12-28-21(25)13-27-20)23-30-22(34-31-23)15-10-29-32(14-15)18-6-8-33-9-7-18;1-22(14-2-3-14,15-4-5-17(24-7-15)18-8-26-19(23)9-25-18)21-28-20(32-29-21)13-6-27-30(10-13)16-11-31-12-16;1-21(14-2-3-14,15-4-5-16(24-9-15)17-10-26-18(23)11-25-17)20-28-19(31-29-20)13-8-27-30(12-13)7-6-22/h5-6,11-15,17,19H,3-4,7-10H2,1-2H3,(H,26,29);6-7,9-12,15,34H,4-5,13H2,1-3H3,(H2,26,30);4-5,10-14,16,18H,2-3,6-9H2,1H3,(H2,25,28);4-10,14,16H,2-3,11-12H2,1H3,(H2,23,26);4-5,8-12,14H,2-3,7H2,1H3,(H2,23,26)/t25-;2*24-;22-;21-/m11111/s1.

What are the key properties of 6-amino-3-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazine-2-carbonitrile;2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine?

6-amino-3-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazine-2-carbonitrile;2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine has a molecular weight of 2246.52 g/mol, XLogP of 15.32, 32 rotatable bonds, 6 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3-[5-[(1R)-1-cyclopropyl-1-[5-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazine-2-carbonitrile;2-[4-[3-[(1R)-1-[6-(5-aminopyrazin-2-yl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]acetonitrile;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]-N-methylpyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxan-4-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine;5-[5-[(1R)-1-cyclopropyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 160811887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).