2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole

C97H105N27O7 — CID 157199293

About 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole

2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (PubChem CID 157199293) has the molecular formula C97H105N27O7 and a molecular weight of 1761.09 g/mol. Its IUPAC name is 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
• PubChem CID: 157199293
• Molecular Formula: C97H105N27O7
• Molecular Weight: 1761.09 g/mol
• Exact Mass: 1759.87
• IUPAC Name: 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
• SMILES: CC(c1ccc(-c2ccc(N)nc2)cc1)(c1noc(N2CCN(CCO)CC2)n1)C1CC1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)no2)cn1.C[C@](c1ccc(-c2cnc(N)nc2)cc1)(c1noc(-c2cnn(C3COC3)c2)n1)C1CCC1.Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc5[nH]ccc5c4)cc3)C3CC3)no2)cn1
• InChI: InChI=1S/C25H28N8O2.C24H25N7O2.C24H30N6O2.C24H22N6O/c1-25(19-5-4-6-19,20-9-7-16(8-10-20)17-11-27-24(26)28-12-17)23-30-22(35-31-23)18-13-29-33(14-18)15-21(34)32(2)3;1-24(18-3-2-4-18,19-7-5-15(6-8-19)16-9-26-23(25)27-10-16)22-29-21(33-30-22)17-11-28-31(12-17)20-13-32-14-20;1-24(20-7-8-20,19-5-2-17(3-6-19)18-4-9-21(25)26-16-18)22-27-23(32-28-22)30-12-10-29(11-13-30)14-15-31;1-24(20-7-8-20,23-28-22(31-29-23)18-13-27-30(2)14-18)19-5-3-15(4-6-19)17-11-16-9-10-25-21(16)26-12-17/h7-14,19H,4-6,15H2,1-3H3,(H2,26,27,28);5-12,18,20H,2-4,13-14H2,1H3,(H2,25,26,27);2-6,9,16,20,31H,7-8,10-15H2,1H3,(H2,25,26);3-6,9-14,20H,7-8H2,1-2H3,(H,25,26)/t25-;24-;;/m10../s1
• InChIKey: AQPPIAWWEJJRDH-PJUVITAFSA-N
• XLogP: 14.09
• TPSA: 436.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1761.09
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?

The IUPAC name of 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole (CID 157199293) is 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole.

What is the SMILES notation for 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?

The canonical SMILES for 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is CC(c1ccc(-c2ccc(N)nc2)cc1)(c1noc(N2CCN(CCO)CC2)n1)C1CC1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)no2)cn1.C[C@](c1ccc(-c2cnc(N)nc2)cc1)(c1noc(-c2cnn(C3COC3)c2)n1)C1CCC1.Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc5[nH]ccc5c4)cc3)C3CC3)no2)cn1.

What is the InChIKey of 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?

The InChIKey is AQPPIAWWEJJRDH-PJUVITAFSA-N. The full InChI is InChI=1S/C25H28N8O2.C24H25N7O2.C24H30N6O2.C24H22N6O/c1-25(19-5-4-6-19,20-9-7-16(8-10-20)17-11-27-24(26)28-12-17)23-30-22(35-31-23)18-13-29-33(14-18)15-21(34)32(2)3;1-24(18-3-2-4-18,19-7-5-15(6-8-19)16-9-26-23(25)27-10-16)22-29-21(33-30-22)17-11-28-31(12-17)20-13-32-14-20;1-24(20-7-8-20,19-5-2-17(3-6-19)18-4-9-21(25)26-16-18)22-27-23(32-28-22)30-12-10-29(11-13-30)14-15-31;1-24(20-7-8-20,23-28-22(31-29-23)18-13-27-30(2)14-18)19-5-3-15(4-6-19)17-11-16-9-10-25-21(16)26-12-17/h7-14,19H,4-6,15H2,1-3H3,(H2,26,27,28);5-12,18,20H,2-4,13-14H2,1H3,(H2,25,26,27);2-6,9,16,20,31H,7-8,10-15H2,1H3,(H2,25,26);3-6,9-14,20H,7-8H2,1-2H3,(H,25,26)/t25-;24-;;/m10../s1.

What are the key properties of 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole?

2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 1761.09 g/mol, XLogP of 14.09, 25 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperazin-1-yl]ethanol;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1S)-1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 157199293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).