1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[1-cyclobutyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine

C95H105N29O6 — CID 160772978

About 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[1-cyclobutyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine

1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[1-cyclobutyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine (PubChem CID 160772978) has the molecular formula C95H105N29O6 and a molecular weight of 1749.08 g/mol. Its IUPAC name is 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[1-cyclobutyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[1-cyclobutyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine
• PubChem CID: 160772978
• Molecular Formula: C95H105N29O6
• Molecular Weight: 1749.08 g/mol
• Exact Mass: 1747.88
• IUPAC Name: 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[1-cyclobutyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine
• SMILES: CC(C)(O)CNc1cnc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)no2)cn1.CC(c1ccc(-c2cnc(N)nc2)cc1)(c1noc(-c2cn[nH]c2)n1)C1CCC1.CN(C)CCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.COCCn1cc(-c2nc([C@@](C)(c3ccc(-c4ccc(N)nc4)cc3)C3CC3)no2)cn1
• InChI: InChI=1S/C26H30N8O2.C24H28N8O.C24H26N6O2.C21H21N7O/c1-25(2,35)15-32-21-14-28-20(13-29-21)22-33-23(34-36-22)26(3,18-5-4-6-18)19-9-7-16(8-10-19)17-11-30-24(27)31-12-17;1-24(20-8-9-20,19-6-4-16(5-7-19)17-12-26-23(25)27-13-17)22-29-21(33-30-22)18-14-28-32(15-18)11-10-31(2)3;1-24(20-8-9-20,19-6-3-16(4-7-19)17-5-10-21(25)26-13-17)23-28-22(32-29-23)18-14-27-30(15-18)11-12-31-2;1-21(16-3-2-4-16,19-27-18(29-28-19)15-11-25-26-12-15)17-7-5-13(6-8-17)14-9-23-20(22)24-10-14/h7-14,18,35H,4-6,15H2,1-3H3,(H,29,32)(H2,27,30,31);4-7,12-15,20H,8-11H2,1-3H3,(H2,25,26,27);3-7,10,13-15,20H,8-9,11-12H2,1-2H3,(H2,25,26);5-12,16H,2-4H2,1H3,(H,25,26)(H2,22,23,24)/t;2*24-;/m.00./s1
• InChIKey: RZOGXZWHZQKCQB-LOWYRBLISA-N
• XLogP: 14.65
• TPSA: 484.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 29
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1749.08
LogP ≤ 5	14.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[1-cyclobutyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine?

The IUPAC name of 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[1-cyclobutyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine (CID 160772978) is 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[1-cyclobutyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine.

What is the SMILES notation for 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[1-cyclobutyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine?

The canonical SMILES for 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[1-cyclobutyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine is CC(C)(O)CNc1cnc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)no2)cn1.CC(c1ccc(-c2cnc(N)nc2)cc1)(c1noc(-c2cn[nH]c2)n1)C1CCC1.CN(C)CCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.COCCn1cc(-c2nc([C@@](C)(c3ccc(-c4ccc(N)nc4)cc3)C3CC3)no2)cn1.

What is the InChIKey of 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[1-cyclobutyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine?

The InChIKey is RZOGXZWHZQKCQB-LOWYRBLISA-N. The full InChI is InChI=1S/C26H30N8O2.C24H28N8O.C24H26N6O2.C21H21N7O/c1-25(2,35)15-32-21-14-28-20(13-29-21)22-33-23(34-36-22)26(3,18-5-4-6-18)19-9-7-16(8-10-19)17-11-30-24(27)31-12-17;1-24(20-8-9-20,19-6-4-16(5-7-19)17-12-26-23(25)27-13-17)22-29-21(33-30-22)18-14-28-32(15-18)11-10-31(2)3;1-24(20-8-9-20,19-6-3-16(4-7-19)17-5-10-21(25)26-13-17)23-28-22(32-29-23)18-14-27-30(15-18)11-12-31-2;1-21(16-3-2-4-16,19-27-18(29-28-19)15-11-25-26-12-15)17-7-5-13(6-8-17)14-9-23-20(22)24-10-14/h7-14,18,35H,4-6,15H2,1-3H3,(H,29,32)(H2,27,30,31);4-7,12-15,20H,8-11H2,1-3H3,(H2,25,26,27);3-7,10,13-15,20H,8-9,11-12H2,1-2H3,(H2,25,26);5-12,16H,2-4H2,1H3,(H,25,26)(H2,22,23,24)/t;2*24-;/m.00./s1.

What are the key properties of 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[1-cyclobutyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine?

1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[1-cyclobutyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine has a molecular weight of 1749.08 g/mol, XLogP of 14.65, 29 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclobutylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[1-cyclobutyl-1-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 160772978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).