1-[[5-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine

C92H99N29O7 — CID 158183447

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

1-[[5-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine (PubChem CID 158183447) has the molecular formula C92H99N29O7 and a molecular weight of 1723.00 g/mol. Its IUPAC name is 1-[[5-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 1-[[5-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine
• PubChem CID: 158183447
• Molecular Formula: C92H99N29O7
• Molecular Weight: 1723.00 g/mol
• Exact Mass: 1721.83
• IUPAC Name: 1-[[5-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine
• SMILES: CC(C)(O)CNc1cnc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.COCCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)cc3)C3CC3)no2)cn1.COCCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)cc3)C3CC3)no2)cn1
• InChI: InChI=1S/C25H28N8O2.2C23H25N7O2.C21H21N7O/c1-24(2,34)14-31-20-13-27-19(12-28-20)21-32-22(33-35-21)25(3,18-8-9-18)17-6-4-15(5-7-17)16-10-29-23(26)30-11-16;1-23(18-7-8-18,17-5-3-15(4-6-17)19-12-26-20(24)13-25-19)22-28-21(32-29-22)16-11-27-30(14-16)9-10-31-2;1-23(19-7-8-19,18-5-3-15(4-6-18)16-11-25-22(24)26-12-16)21-28-20(32-29-21)17-13-27-30(14-17)9-10-31-2;1-21(16-7-8-16,20-26-19(29-27-20)14-9-25-28(2)12-14)15-5-3-13(4-6-15)17-10-24-18(22)11-23-17/h4-7,10-13,18,34H,8-9,14H2,1-3H3,(H,28,31)(H2,26,29,30);3-6,11-14,18H,7-10H2,1-2H3,(H2,24,26);3-6,11-14,19H,7-10H2,1-2H3,(H2,24,25,26);3-6,9-12,16H,7-8H2,1-2H3,(H2,22,24)/t25-;2*23-;21-/m0000/s1
• InChIKey: FYWGSQIATABCFW-MZEBYZMRSA-N
• XLogP: 13.36
• TPSA: 492.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 29
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1723.00
LogP ≤ 5	13.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

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

The IUPAC name of 1-[[5-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine (CID 158183447) is 1-[[5-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine.

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

The canonical SMILES for 1-[[5-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine is CC(C)(O)CNc1cnc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.COCCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)cc3)C3CC3)no2)cn1.COCCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)cc3)C3CC3)no2)cn1.

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

The InChIKey is FYWGSQIATABCFW-MZEBYZMRSA-N. The full InChI is InChI=1S/C25H28N8O2.2C23H25N7O2.C21H21N7O/c1-24(2,34)14-31-20-13-27-19(12-28-20)21-32-22(33-35-21)25(3,18-8-9-18)17-6-4-15(5-7-17)16-10-29-23(26)30-11-16;1-23(18-7-8-18,17-5-3-15(4-6-17)19-12-26-20(24)13-25-19)22-28-21(32-29-22)16-11-27-30(14-16)9-10-31-2;1-23(19-7-8-19,18-5-3-15(4-6-18)16-11-25-22(24)26-12-16)21-28-20(32-29-21)17-13-27-30(14-17)9-10-31-2;1-21(16-7-8-16,20-26-19(29-27-20)14-9-25-28(2)12-14)15-5-3-13(4-6-15)17-10-24-18(22)11-23-17/h4-7,10-13,18,34H,8-9,14H2,1-3H3,(H,28,31)(H2,26,29,30);3-6,11-14,18H,7-10H2,1-2H3,(H2,24,26);3-6,11-14,19H,7-10H2,1-2H3,(H2,24,25,26);3-6,9-12,16H,7-8H2,1-2H3,(H2,22,24)/t25-;2*23-;21-/m0000/s1.

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

1-[[5-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine has a molecular weight of 1723.00 g/mol, XLogP of 13.36, 29 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazin-2-yl]amino]-2-methylpropan-2-ol;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 158183447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).