2-[4-[3-[(1R)-1-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-phenylmethoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine

C124H127FN30O8S — CID 159294897

About 2-[4-[3-[(1R)-1-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-phenylmethoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine

2-[4-[3-[(1R)-1-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-phenylmethoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine (PubChem CID 159294897) has the molecular formula C124H127FN30O8S and a molecular weight of 2216.65 g/mol. Its IUPAC name is 2-[4-[3-[(1R)-1-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-phenylmethoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 2-[4-[3-[(1R)-1-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-phenylmethoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine
• PubChem CID: 159294897
• Molecular Formula: C124H127FN30O8S
• Molecular Weight: 2216.65 g/mol
• Exact Mass: 2215.02
• IUPAC Name: 2-[4-[3-[(1R)-1-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-phenylmethoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine
• SMILES: CCC(C)(c1ccc(-c2ccc(N)nc2)cc1)c1noc(-c2ccc(C)nc2)n1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)c(F)c4)cc3)C3CC3)no2)cn1.Cc1nc(N)ccc1-c1ccc([C@](C)(c2noc(-c3cnn(CC(=O)N(C)C)c3)n2)C2CC2)cc1.Cc1ncsc1-c1nc(C(C)(c2ccc(-c3cnc(N)nc3)cc2)C(C)C)no1.Cn1cc(-c2nc(C(C)(c3ccc(-c4cncc(OCc5ccccc5)c4)cc3)C3CC3)no2)cn1
• InChI: InChI=1S/C29H27N5O2.C26H29N7O2.C25H26FN7O2.C23H23N5O.C21H22N6OS/c1-29(25-12-13-25,28-32-27(36-33-28)23-16-31-34(2)18-23)24-10-8-21(9-11-24)22-14-26(17-30-15-22)35-19-20-6-4-3-5-7-20;1-16-21(11-12-22(27)29-16)17-5-7-19(8-6-17)26(2,20-9-10-20)25-30-24(35-31-25)18-13-28-33(14-18)15-23(34)32(3)4;1-25(19-8-9-19,18-6-4-15(5-7-18)16-10-20(26)22(27)28-11-16)24-30-23(35-31-24)17-12-29-33(13-17)14-21(34)32(2)3;1-4-23(3,22-27-21(29-28-22)18-6-5-15(2)25-14-18)19-10-7-16(8-11-19)17-9-12-20(24)26-13-17;1-12(2)21(4,19-26-18(28-27-19)17-13(3)25-11-29-17)16-7-5-14(6-8-16)15-9-23-20(22)24-10-15/h3-11,14-18,25H,12-13,19H2,1-2H3;5-8,11-14,20H,9-10,15H2,1-4H3,(H2,27,29);4-7,10-13,19H,8-9,14H2,1-3H3,(H2,27,28);5-14H,4H2,1-3H3,(H2,24,26);5-12H,1-4H3,(H2,22,23,24)/t;26-;25-;;/m.00../s1
• InChIKey: LAOXNGJEQVOFAQ-MLMDMJNASA-N
• XLogP: 22.34
• TPSA: 505.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2216.65
LogP ≤ 5	22.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(1R)-1-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-phenylmethoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine?

The IUPAC name of 2-[4-[3-[(1R)-1-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-phenylmethoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine (CID 159294897) is 2-[4-[3-[(1R)-1-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-phenylmethoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine.

What is the SMILES notation for 2-[4-[3-[(1R)-1-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-phenylmethoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine?

The canonical SMILES for 2-[4-[3-[(1R)-1-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-phenylmethoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine is CCC(C)(c1ccc(-c2ccc(N)nc2)cc1)c1noc(-c2ccc(C)nc2)n1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)c(F)c4)cc3)C3CC3)no2)cn1.Cc1nc(N)ccc1-c1ccc([C@](C)(c2noc(-c3cnn(CC(=O)N(C)C)c3)n2)C2CC2)cc1.Cc1ncsc1-c1nc(C(C)(c2ccc(-c3cnc(N)nc3)cc2)C(C)C)no1.Cn1cc(-c2nc(C(C)(c3ccc(-c4cncc(OCc5ccccc5)c4)cc3)C3CC3)no2)cn1.

What is the InChIKey of 2-[4-[3-[(1R)-1-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-phenylmethoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine?

The InChIKey is LAOXNGJEQVOFAQ-MLMDMJNASA-N. The full InChI is InChI=1S/C29H27N5O2.C26H29N7O2.C25H26FN7O2.C23H23N5O.C21H22N6OS/c1-29(25-12-13-25,28-32-27(36-33-28)23-16-31-34(2)18-23)24-10-8-21(9-11-24)22-14-26(17-30-15-22)35-19-20-6-4-3-5-7-20;1-16-21(11-12-22(27)29-16)17-5-7-19(8-6-17)26(2,20-9-10-20)25-30-24(35-31-25)18-13-28-33(14-18)15-23(34)32(3)4;1-25(19-8-9-19,18-6-4-15(5-7-18)16-10-20(26)22(27)28-11-16)24-30-23(35-31-24)17-12-29-33(13-17)14-21(34)32(2)3;1-4-23(3,22-27-21(29-28-22)18-6-5-15(2)25-14-18)19-10-7-16(8-11-19)17-9-12-20(24)26-13-17;1-12(2)21(4,19-26-18(28-27-19)17-13(3)25-11-29-17)16-7-5-14(6-8-16)15-9-23-20(22)24-10-15/h3-11,14-18,25H,12-13,19H2,1-2H3;5-8,11-14,20H,9-10,15H2,1-4H3,(H2,27,29);4-7,10-13,19H,8-9,14H2,1-3H3,(H2,27,28);5-14H,4H2,1-3H3,(H2,24,26);5-12H,1-4H3,(H2,22,23,24)/t;26-;25-;;/m.00../s1.

What are the key properties of 2-[4-[3-[(1R)-1-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-phenylmethoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine?

2-[4-[3-[(1R)-1-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-phenylmethoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine has a molecular weight of 2216.65 g/mol, XLogP of 22.34, 32 rotatable bonds, 4 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[(1R)-1-[4-(6-amino-5-fluoro-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;3-[1-cyclopropyl-1-[4-(5-phenylmethoxy-3-pyridinyl)phenyl]ethyl]-5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole;5-[4-[3-methyl-2-[5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 159294897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).