2-[4-[3-[1-[4-(2-amino-4-fluoropyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(3H-pyrrol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine

C113H115FN32O8 — CID 159621473

About 2-[4-[3-[1-[4-(2-amino-4-fluoropyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(3H-pyrrol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine

2-[4-[3-[1-[4-(2-amino-4-fluoropyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(3H-pyrrol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine (PubChem CID 159621473) has the molecular formula C113H115FN32O8 and a molecular weight of 2068.38 g/mol. Its IUPAC name is 2-[4-[3-[1-[4-(2-amino-4-fluoropyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(3H-pyrrol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 2-[4-[3-[1-[4-(2-amino-4-fluoropyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(3H-pyrrol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
• PubChem CID: 159621473
• Molecular Formula: C113H115FN32O8
• Molecular Weight: 2068.38 g/mol
• Exact Mass: 2066.96
• IUPAC Name: 2-[4-[3-[1-[4-(2-amino-4-fluoropyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(3H-pyrrol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
• SMILES: CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2ccc(C(N)=O)nc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(C2=CCC=N2)n1.CC(c1ccc(-c2cnc(N)nc2)cc1)(c1noc(C2CC(O)C2)n1)C1CC1.CN(C)C(=O)Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4F)cc3)C3CC3)no2)cn1.Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc5[nH]ccc5c4)cc3)C3CC3)no2)cn1
• InChI: InChI=1S/C24H25FN8O2.C24H22N6O.C23H23N7O2.C21H22N6O.C21H23N5O2/c1-24(17-8-9-17,16-6-4-14(5-7-16)18-11-27-23(26)29-20(18)25)22-30-21(35-31-22)15-10-28-33(12-15)13-19(34)32(2)3;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;1-13(2)23(3,17-7-4-14(5-8-17)16-11-27-22(25)28-12-16)21-29-20(32-30-21)15-6-9-18(19(24)31)26-10-15;1-13(2)21(3,19-26-18(28-27-19)17-5-4-10-23-17)16-8-6-14(7-9-16)15-11-24-20(22)25-12-15;1-21(16-6-7-16,19-25-18(28-26-19)13-8-17(27)9-13)15-4-2-12(3-5-15)14-10-23-20(22)24-11-14/h4-7,10-12,17H,8-9,13H2,1-3H3,(H2,26,27,29);3-6,9-14,20H,7-8H2,1-2H3,(H,25,26);4-13H,1-3H3,(H2,24,31)(H2,25,27,28);5-13H,4H2,1-3H3,(H2,22,24,25);2-5,10-11,13,16-17,27H,6-9H2,1H3,(H2,22,23,24)
• InChIKey: MNYCUIKXPCVXCN-UHFFFAOYSA-N
• XLogP: 17.83
• TPSA: 575.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2068.38
LogP ≤ 5	17.83
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-[4-(2-amino-4-fluoropyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(3H-pyrrol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?

The IUPAC name of 2-[4-[3-[1-[4-(2-amino-4-fluoropyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(3H-pyrrol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine (CID 159621473) is 2-[4-[3-[1-[4-(2-amino-4-fluoropyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(3H-pyrrol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 2-[4-[3-[1-[4-(2-amino-4-fluoropyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(3H-pyrrol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 2-[4-[3-[1-[4-(2-amino-4-fluoropyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(3H-pyrrol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine is CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2ccc(C(N)=O)nc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(C2=CCC=N2)n1.CC(c1ccc(-c2cnc(N)nc2)cc1)(c1noc(C2CC(O)C2)n1)C1CC1.CN(C)C(=O)Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4F)cc3)C3CC3)no2)cn1.Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc5[nH]ccc5c4)cc3)C3CC3)no2)cn1.

What is the InChIKey of 2-[4-[3-[1-[4-(2-amino-4-fluoropyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(3H-pyrrol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?

The InChIKey is MNYCUIKXPCVXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O2.C24H22N6O.C23H23N7O2.C21H22N6O.C21H23N5O2/c1-24(17-8-9-17,16-6-4-14(5-7-16)18-11-27-23(26)29-20(18)25)22-30-21(35-31-22)15-10-28-33(12-15)13-19(34)32(2)3;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;1-13(2)23(3,17-7-4-14(5-8-17)16-11-27-22(25)28-12-16)21-29-20(32-30-21)15-6-9-18(19(24)31)26-10-15;1-13(2)21(3,19-26-18(28-27-19)17-5-4-10-23-17)16-8-6-14(7-9-16)15-11-24-20(22)25-12-15;1-21(16-6-7-16,19-25-18(28-26-19)13-8-17(27)9-13)15-4-2-12(3-5-15)14-10-23-20(22)24-11-14/h4-7,10-12,17H,8-9,13H2,1-3H3,(H2,26,27,29);3-6,9-14,20H,7-8H2,1-2H3,(H,25,26);4-13H,1-3H3,(H2,24,31)(H2,25,27,28);5-13H,4H2,1-3H3,(H2,22,24,25);2-5,10-11,13,16-17,27H,6-9H2,1H3,(H2,22,23,24).

What are the key properties of 2-[4-[3-[1-[4-(2-amino-4-fluoropyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(3H-pyrrol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?

2-[4-[3-[1-[4-(2-amino-4-fluoropyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(3H-pyrrol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine has a molecular weight of 2068.38 g/mol, XLogP of 17.83, 28 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[1-[4-(2-amino-4-fluoropyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-ol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide;3-[1-cyclopropyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(3H-pyrrol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159621473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).