2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;2-[4-[3-[1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-cyclopropyl-1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide

C100H103F3N30O8 — CID 159289593

About 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;2-[4-[3-[1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-cyclopropyl-1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;2-[4-[3-[1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-cyclopropyl-1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 159289593) has the molecular formula C100H103F3N30O8 and a molecular weight of 1910.12 g/mol. Its IUPAC name is 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;2-[4-[3-[1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-cyclopropyl-1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;2-[4-[3-[1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-cyclopropyl-1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
• PubChem CID: 159289593
• Molecular Formula: C100H103F3N30O8
• Molecular Weight: 1910.12 g/mol
• Exact Mass: 1908.85
• IUPAC Name: 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;2-[4-[3-[1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-cyclopropyl-1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
• SMILES: CC(c1ccc(-c2cnc(N)nc2)cc1)(c1noc(-c2cnn(C3COC3)c2)n1)C1CCC1.CN(C)C(=O)Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)c(C(F)(F)F)c4)cc3)C3CC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc5[nH]ccc5n4)cc3)C3CC3)no2)cn1.CNC(=O)Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)no2)cn1
• InChI: InChI=1S/C26H26F3N7O2.C26H26N8O2.C24H26N8O2.C24H25N7O2/c1-25(19-8-9-19,24-33-23(38-34-24)17-12-32-36(13-17)14-21(37)35(2)3)18-6-4-15(5-7-18)16-10-20(26(27,28)29)22(30)31-11-16;1-26(19-8-9-19,18-6-4-16(5-7-18)21-13-28-23-20(30-21)10-11-27-23)25-31-24(36-32-25)17-12-29-34(14-17)15-22(35)33(2)3;1-24(18-4-3-5-18,19-8-6-15(7-9-19)16-10-27-23(25)28-11-16)22-30-21(34-31-22)17-12-29-32(13-17)14-20(33)26-2;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/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,30,31);4-7,10-14,19H,8-9,15H2,1-3H3,(H,27,28);6-13,18H,3-5,14H2,1-2H3,(H,26,33)(H2,25,27,28);5-12,18,20H,2-4,13-14H2,1H3,(H2,25,26,27)
• InChIKey: KZYCJOTULNEFRA-UHFFFAOYSA-N
• XLogP: 14.55
• TPSA: 489.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 27
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1910.12
LogP ≤ 5	14.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

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

The IUPAC name of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;2-[4-[3-[1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-cyclopropyl-1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide (CID 159289593) is 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;2-[4-[3-[1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-cyclopropyl-1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide.

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

The canonical SMILES for 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;2-[4-[3-[1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-cyclopropyl-1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide is CC(c1ccc(-c2cnc(N)nc2)cc1)(c1noc(-c2cnn(C3COC3)c2)n1)C1CCC1.CN(C)C(=O)Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)c(C(F)(F)F)c4)cc3)C3CC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc5[nH]ccc5n4)cc3)C3CC3)no2)cn1.CNC(=O)Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)no2)cn1.

What is the InChIKey of 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;2-[4-[3-[1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-cyclopropyl-1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?

The InChIKey is KZYCJOTULNEFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N7O2.C26H26N8O2.C24H26N8O2.C24H25N7O2/c1-25(19-8-9-19,24-33-23(38-34-24)17-12-32-36(13-17)14-21(37)35(2)3)18-6-4-15(5-7-18)16-10-20(26(27,28)29)22(30)31-11-16;1-26(19-8-9-19,18-6-4-16(5-7-18)21-13-28-23-20(30-21)10-11-27-23)25-31-24(36-32-25)17-12-29-34(14-17)15-22(35)33(2)3;1-24(18-4-3-5-18,19-8-6-15(7-9-19)16-10-27-23(25)28-11-16)22-30-21(34-31-22)17-12-29-32(13-17)14-20(33)26-2;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/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,30,31);4-7,10-14,19H,8-9,15H2,1-3H3,(H,27,28);6-13,18H,3-5,14H2,1-2H3,(H,26,33)(H2,25,27,28);5-12,18,20H,2-4,13-14H2,1H3,(H2,25,26,27).

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

2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;2-[4-[3-[1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-cyclopropyl-1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 1910.12 g/mol, XLogP of 14.55, 27 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;2-[4-[3-[1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclobutyl-1-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;2-[4-[3-[1-cyclopropyl-1-[4-(5H-pyrrolo[2,3-b]pyrazin-2-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 159289593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).