1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;5-[4-[(1S)-1-cyclopropyl-1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine

C92H106N30O6 — CID 158027979

About 1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;5-[4-[(1S)-1-cyclopropyl-1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine

1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;5-[4-[(1S)-1-cyclopropyl-1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine (PubChem CID 158027979) has the molecular formula C92H106N30O6 and a molecular weight of 1728.06 g/mol. Its IUPAC name is 1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;5-[4-[(1S)-1-cyclopropyl-1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;5-[4-[(1S)-1-cyclopropyl-1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine
• PubChem CID: 158027979
• Molecular Formula: C92H106N30O6
• Molecular Weight: 1728.06 g/mol
• Exact Mass: 1726.89
• IUPAC Name: 1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;5-[4-[(1S)-1-cyclopropyl-1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine
• SMILES: CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(N2CCC(C(N)=O)CC2)n1.COCCn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)no2)cn1.C[C@](c1ccc(-c2cnc(N)cn2)cc1)(c1noc(-c2cnc(N3CCNCC3)cn2)n1)C1CC1.Cn1cc(-c2nc([C@@H](c3ccc(-c4cnc(N)nc4)cc3)C(C)(C)C)no2)cn1
• InChI: InChI=1S/C25H27N9O.C23H27N7O2.C23H29N7O2.C21H23N7O/c1-25(18-6-7-18,17-4-2-16(3-5-17)19-12-30-21(26)14-28-19)24-32-23(35-33-24)20-13-31-22(15-29-20)34-10-8-27-9-11-34;1-15(2)23(3,19-7-5-16(6-8-19)17-11-25-22(24)26-12-17)21-28-20(32-29-21)18-13-27-30(14-18)9-10-31-4;1-14(2)23(3,18-6-4-15(5-7-18)17-12-26-21(25)27-13-17)20-28-22(32-29-20)30-10-8-16(9-11-30)19(24)31;1-21(2,3)17(18-26-19(29-27-18)16-11-25-28(4)12-16)14-7-5-13(6-8-14)15-9-23-20(22)24-10-15/h2-5,12-15,18,27H,6-11H2,1H3,(H2,26,30);5-8,11-15H,9-10H2,1-4H3,(H2,24,25,26);4-7,12-14,16H,8-11H2,1-3H3,(H2,24,31)(H2,25,26,27);5-12,17H,1-4H3,(H2,22,23,24)/t25-;23-;;17-/m10.1/s1
• InChIKey: FGVGFDXFHGVWKB-FGFHQOCZSA-N
• XLogP: 12.73
• TPSA: 495.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1728.06
LogP ≤ 5	12.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;5-[4-[(1S)-1-cyclopropyl-1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine?

The IUPAC name of 1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;5-[4-[(1S)-1-cyclopropyl-1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine (CID 158027979) is 1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;5-[4-[(1S)-1-cyclopropyl-1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;5-[4-[(1S)-1-cyclopropyl-1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;5-[4-[(1S)-1-cyclopropyl-1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine is CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(N2CCC(C(N)=O)CC2)n1.COCCn1cc(-c2nc([C@](C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)no2)cn1.C[C@](c1ccc(-c2cnc(N)cn2)cc1)(c1noc(-c2cnc(N3CCNCC3)cn2)n1)C1CC1.Cn1cc(-c2nc([C@@H](c3ccc(-c4cnc(N)nc4)cc3)C(C)(C)C)no2)cn1.

What is the InChIKey of 1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;5-[4-[(1S)-1-cyclopropyl-1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine?

The InChIKey is FGVGFDXFHGVWKB-FGFHQOCZSA-N. The full InChI is InChI=1S/C25H27N9O.C23H27N7O2.C23H29N7O2.C21H23N7O/c1-25(18-6-7-18,17-4-2-16(3-5-17)19-12-30-21(26)14-28-19)24-32-23(35-33-24)20-13-31-22(15-29-20)34-10-8-27-9-11-34;1-15(2)23(3,19-7-5-16(6-8-19)17-11-25-22(24)26-12-17)21-28-20(32-29-21)18-13-27-30(14-18)9-10-31-4;1-14(2)23(3,18-6-4-15(5-7-18)17-12-26-21(25)27-13-17)20-28-22(32-29-20)30-10-8-16(9-11-30)19(24)31;1-21(2,3)17(18-26-19(29-27-18)16-11-25-28(4)12-16)14-7-5-13(6-8-14)15-9-23-20(22)24-10-15/h2-5,12-15,18,27H,6-11H2,1H3,(H2,26,30);5-8,11-15H,9-10H2,1-4H3,(H2,24,25,26);4-7,12-14,16H,8-11H2,1-3H3,(H2,24,31)(H2,25,26,27);5-12,17H,1-4H3,(H2,22,23,24)/t25-;23-;;17-/m10.1/s1.

What are the key properties of 1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;5-[4-[(1S)-1-cyclopropyl-1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine?

1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;5-[4-[(1S)-1-cyclopropyl-1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine has a molecular weight of 1728.06 g/mol, XLogP of 12.73, 24 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide;5-[4-[(1S)-1-cyclopropyl-1-[5-(5-piperazin-1-ylpyrazin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-2,2-dimethyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propyl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-2-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158027979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).