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-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1R)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine

C96H103FN30O7 — CID 158004889

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-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1R)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-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-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1R)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine (PubChem CID 158004889) has the molecular formula C96H103FN30O7 and a molecular weight of 1808.08 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-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1R)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-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-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1R)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine
• PubChem CID: 158004889
• Molecular Formula: C96H103FN30O7
• Molecular Weight: 1808.08 g/mol
• Exact Mass: 1806.86
• 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-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1R)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine
• SMILES: CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)c(F)c4)cc3)C3CC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.Cc1nc(N)cnc1-c1ccc([C@](C)(c2noc(-c3cnn(CC(=O)N(C)C)c3)n2)C2CC2)cc1.Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)no2)cn1
• InChI: InChI=1S/C25H26FN7O2.C25H28N8O2.C24H26N8O2.C22H23N7O/c1-25(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;1-15-22(27-12-20(26)29-15)16-5-7-18(8-6-16)25(2,19-9-10-19)24-30-23(35-31-24)17-11-28-33(13-17)14-21(34)32(3)4;1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3;1-22(17-4-3-5-17,20-27-19(30-28-20)16-12-26-29(2)13-16)18-8-6-14(7-9-18)15-10-24-21(23)25-11-15/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,27,28);5-8,11-13,19H,9-10,14H2,1-4H3,(H2,26,29);4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27);6-13,17H,3-5H2,1-2H3,(H2,23,24,25)/t2*25-;24-;22-/m0001/s1
• InChIKey: FEEBSMRAFJHNOW-YNWPAADFSA-N
• XLogP: 13.00
• TPSA: 482.20 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1808.08
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

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-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1R)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-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-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1R)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine (CID 158004889) 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-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1R)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-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-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1R)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-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-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1R)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine is CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)c(F)c4)cc3)C3CC3)no2)cn1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.Cc1nc(N)cnc1-c1ccc([C@](C)(c2noc(-c3cnn(CC(=O)N(C)C)c3)n2)C2CC2)cc1.Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CCC3)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-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1R)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine?

The InChIKey is FEEBSMRAFJHNOW-YNWPAADFSA-N. The full InChI is InChI=1S/C25H26FN7O2.C25H28N8O2.C24H26N8O2.C22H23N7O/c1-25(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;1-15-22(27-12-20(26)29-15)16-5-7-18(8-6-16)25(2,19-9-10-19)24-30-23(35-31-24)17-11-28-33(13-17)14-21(34)32(3)4;1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3;1-22(17-4-3-5-17,20-27-19(30-28-20)16-12-26-29(2)13-16)18-8-6-14(7-9-18)15-10-24-21(23)25-11-15/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,27,28);5-8,11-13,19H,9-10,14H2,1-4H3,(H2,26,29);4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27);6-13,17H,3-5H2,1-2H3,(H2,23,24,25)/t2*25-;24-;22-/m0001/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-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1R)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-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-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1R)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine has a molecular weight of 1808.08 g/mol, XLogP of 13.00, 26 rotatable bonds, 4 hydrogen bond donors, and 34 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-(5-amino-3-methylpyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[(1R)-1-cyclobutyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158004889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).