2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine

C94H108N30O8 — CID 158465279

About 2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine

2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine (PubChem CID 158465279) has the molecular formula C94H108N30O8 and a molecular weight of 1786.10 g/mol. Its IUPAC name is 2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine
• PubChem CID: 158465279
• Molecular Formula: C94H108N30O8
• Molecular Weight: 1786.10 g/mol
• Exact Mass: 1784.90
• IUPAC Name: 2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine
• SMILES: CC(c1ccc(-c2cnc(N)nc2)cc1)(c1noc(N2CCC[C@@H](O)C2)n1)C1CC1.CNC(=O)Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)no2)cn1.COCCNc1cnc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)no2)cn1.Cc1nc(N)cnc1-c1ccc([C@](C)(c2noc(-c3cnn(CC(=O)N(C)C)c3)n2)C2CC2)cc1
• InChI: InChI=1S/C25H28N8O2.C24H28N8O2.C23H26N8O2.C22H26N6O2/c1-15-22(27-12-20(26)29-15)16-5-7-18(8-6-16)25(2,19-9-10-19)24-30-23(35-31-24)17-11-28-33(13-17)14-21(34)32(3)4;1-15(2)24(3,18-7-5-16(6-8-18)17-11-29-23(25)30-12-17)22-31-21(34-32-22)19-13-28-20(14-27-19)26-9-10-33-4;1-14(2)23(3,18-7-5-15(6-8-18)16-9-26-22(24)27-10-16)21-29-20(33-30-21)17-11-28-31(12-17)13-19(32)25-4;1-22(17-8-9-17,19-26-21(30-27-19)28-10-2-3-18(29)13-28)16-6-4-14(5-7-16)15-11-24-20(23)25-12-15/h5-8,11-13,19H,9-10,14H2,1-4H3,(H2,26,29);5-8,11-15H,9-10H2,1-4H3,(H,26,28)(H2,25,29,30);5-12,14H,13H2,1-4H3,(H,25,32)(H2,24,26,27);4-7,11-12,17-18,29H,2-3,8-10,13H2,1H3,(H2,23,24,25)/t25-;24-;;18-,22?/m00.1/s1
• InChIKey: HFRFUCOMTAJXME-PGNJZPSLSA-N
• XLogP: 12.14
• TPSA: 518.44 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 28
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1786.10
LogP ≤ 5	12.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

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-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine?

The IUPAC name of 2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine (CID 158465279) is 2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine is CC(c1ccc(-c2cnc(N)nc2)cc1)(c1noc(N2CCC[C@@H](O)C2)n1)C1CC1.CNC(=O)Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)no2)cn1.COCCNc1cnc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)no2)cn1.Cc1nc(N)cnc1-c1ccc([C@](C)(c2noc(-c3cnn(CC(=O)N(C)C)c3)n2)C2CC2)cc1.

What is the InChIKey of 2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine?

The InChIKey is HFRFUCOMTAJXME-PGNJZPSLSA-N. The full InChI is InChI=1S/C25H28N8O2.C24H28N8O2.C23H26N8O2.C22H26N6O2/c1-15-22(27-12-20(26)29-15)16-5-7-18(8-6-16)25(2,19-9-10-19)24-30-23(35-31-24)17-11-28-33(13-17)14-21(34)32(3)4;1-15(2)24(3,18-7-5-16(6-8-18)17-11-29-23(25)30-12-17)22-31-21(34-32-22)19-13-28-20(14-27-19)26-9-10-33-4;1-14(2)23(3,18-7-5-15(6-8-18)16-9-26-22(24)27-10-16)21-29-20(33-30-21)17-11-28-31(12-17)13-19(32)25-4;1-22(17-8-9-17,19-26-21(30-27-19)28-10-2-3-18(29)13-28)16-6-4-14(5-7-16)15-11-24-20(23)25-12-15/h5-8,11-13,19H,9-10,14H2,1-4H3,(H2,26,29);5-8,11-15H,9-10H2,1-4H3,(H,26,28)(H2,25,29,30);5-12,14H,13H2,1-4H3,(H,25,32)(H2,24,26,27);4-7,11-12,17-18,29H,2-3,8-10,13H2,1H3,(H2,23,24,25)/t25-;24-;;18-,22?/m00.1/s1.

What are the key properties of 2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine?

2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine has a molecular weight of 1786.10 g/mol, XLogP of 12.14, 28 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[(1R)-1-[4-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;(3R)-1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-3-ol;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[(2S)-2-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158465279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).