1-[3-[(1R)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[3-methyl-2-[5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-propyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine

C119H137N29O9 — CID 158998299

About 1-[3-[(1R)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[3-methyl-2-[5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-propyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine

1-[3-[(1R)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[3-methyl-2-[5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-propyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine (PubChem CID 158998299) has the molecular formula C119H137N29O9 and a molecular weight of 2117.60 g/mol. Its IUPAC name is 1-[3-[(1R)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[3-methyl-2-[5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-propyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[3-[(1R)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[3-methyl-2-[5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-propyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine
• PubChem CID: 158998299
• Molecular Formula: C119H137N29O9
• Molecular Weight: 2117.60 g/mol
• Exact Mass: 2116.12
• IUPAC Name: 1-[3-[(1R)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[3-methyl-2-[5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-propyl-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(N3CCOCC3)nc2)n1.CCCc1nc(C(C)(c2ccc(-c3cnc(N)nc3)cc2)C(C)C)no1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc5c(c4)CCN5)cc3)C3CC3)no2)cn1.C[C@@](c1ccc(-c2ccc(N)nc2)cc1)(c1noc(N2CCC(O)CC2)n1)C1CC1.C[C@](c1ccc(-c2ccc(N)nc2)cc1)(c1noc(N2CCC(O)CC2)n1)C1CC1
• InChI: InChI=1S/C27H29N7O2.C26H29N7O2.2C23H27N5O2.C20H25N5O/c1-27(22-8-9-22,21-6-4-17(5-7-21)19-12-18-10-11-28-24(18)29-13-19)26-31-25(36-32-26)20-14-30-34(15-20)16-23(35)33(2)3;1-17(2)26(3,21-7-4-18(5-8-21)20-15-29-25(27)30-16-20)24-31-23(35-32-24)19-6-9-22(28-14-19)33-10-12-34-13-11-33;2*1-23(18-7-8-18,21-26-22(30-27-21)28-12-10-19(29)11-13-28)17-5-2-15(3-6-17)16-4-9-20(24)25-14-16;1-5-6-17-24-18(25-26-17)20(4,13(2)3)16-9-7-14(8-10-16)15-11-22-19(21)23-12-15/h4-7,12-15,22H,8-11,16H2,1-3H3,(H,28,29);4-9,14-17H,10-13H2,1-3H3,(H2,27,29,30);2*2-6,9,14,18-19,29H,7-8,10-13H2,1H3,(H2,24,25);7-13H,5-6H2,1-4H3,(H2,21,22,23)/t27-;;2*23-;/m0.10./s1
• InChIKey: JRAGCJHCQGJZKA-NUQUFQDFSA-N
• XLogP: 18.54
• TPSA: 511.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2117.60
LogP ≤ 5	18.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[3-methyl-2-[5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-propyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine?

The IUPAC name of 1-[3-[(1R)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[3-methyl-2-[5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-propyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine (CID 158998299) is 1-[3-[(1R)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[3-methyl-2-[5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-propyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 1-[3-[(1R)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[3-methyl-2-[5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-propyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 1-[3-[(1R)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[3-methyl-2-[5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-propyl-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(N3CCOCC3)nc2)n1.CCCc1nc(C(C)(c2ccc(-c3cnc(N)nc3)cc2)C(C)C)no1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc5c(c4)CCN5)cc3)C3CC3)no2)cn1.C[C@@](c1ccc(-c2ccc(N)nc2)cc1)(c1noc(N2CCC(O)CC2)n1)C1CC1.C[C@](c1ccc(-c2ccc(N)nc2)cc1)(c1noc(N2CCC(O)CC2)n1)C1CC1.

What is the InChIKey of 1-[3-[(1R)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[3-methyl-2-[5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-propyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine?

The InChIKey is JRAGCJHCQGJZKA-NUQUFQDFSA-N. The full InChI is InChI=1S/C27H29N7O2.C26H29N7O2.2C23H27N5O2.C20H25N5O/c1-27(22-8-9-22,21-6-4-17(5-7-21)19-12-18-10-11-28-24(18)29-13-19)26-31-25(36-32-26)20-14-30-34(15-20)16-23(35)33(2)3;1-17(2)26(3,21-7-4-18(5-8-21)20-15-29-25(27)30-16-20)24-31-23(35-32-24)19-6-9-22(28-14-19)33-10-12-34-13-11-33;2*1-23(18-7-8-18,21-26-22(30-27-21)28-12-10-19(29)11-13-28)17-5-2-15(3-6-17)16-4-9-20(24)25-14-16;1-5-6-17-24-18(25-26-17)20(4,13(2)3)16-9-7-14(8-10-16)15-11-22-19(21)23-12-15/h4-7,12-15,22H,8-11,16H2,1-3H3,(H,28,29);4-9,14-17H,10-13H2,1-3H3,(H2,27,29,30);2*2-6,9,14,18-19,29H,7-8,10-13H2,1H3,(H2,24,25);7-13H,5-6H2,1-4H3,(H2,21,22,23)/t27-;;2*23-;/m0.10./s1.

What are the key properties of 1-[3-[(1R)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[3-methyl-2-[5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-propyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine?

1-[3-[(1R)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[3-methyl-2-[5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-propyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine has a molecular weight of 2117.60 g/mol, XLogP of 18.54, 29 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(1R)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;1-[3-[(1S)-1-[4-(6-amino-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]piperidin-4-ol;2-[4-[3-[(1R)-1-cyclopropyl-1-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[3-methyl-2-[5-(6-morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[3-methyl-2-(5-propyl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158998299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).