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;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine

C97H104FN27O7 — CID 158514672

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;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;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;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine (PubChem CID 158514672) has the molecular formula C97H104FN27O7 and a molecular weight of 1779.08 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-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;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;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine
• PubChem CID: 158514672
• Molecular Formula: C97H104FN27O7
• Molecular Weight: 1779.08 g/mol
• Exact Mass: 1777.86
• 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-(6-amino-2-methyl-3-pyridinyl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;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.CNC(=O)Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)no2)cn1.Cc1nc(N)ccc1-c1ccc([C@](C)(c2noc(-c3cnn(CC(=O)N(C)C)c3)n2)C2CC2)cc1
• InChI: InChI=1S/C26H29N7O2.C25H26FN7O2.C23H26N8O2.C23H23N5O/c1-16-21(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;1-14(2)23(3,18-7-5-15(6-8-18)16-9-26-22(24)27-10-16)21-29-20(33-30-21)17-11-28-31(12-17)13-19(32)25-4;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/h5-8,11-14,20H,9-10,15H2,1-4H3,(H2,27,29);4-7,10-13,19H,8-9,14H2,1-3H3,(H2,27,28);5-12,14H,13H2,1-4H3,(H,25,32)(H2,24,26,27);5-14H,4H2,1-3H3,(H2,24,26)/t26-;25-;;/m00../s1
• InChIKey: HLMFJBYKAPUDGP-MJBZSYSDSA-N
• XLogP: 14.69
• TPSA: 460.28 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1779.08
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

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;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;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;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine (CID 158514672) 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;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;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;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;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;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;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.CNC(=O)Cn1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)no2)cn1.Cc1nc(N)ccc1-c1ccc([C@](C)(c2noc(-c3cnn(CC(=O)N(C)C)c3)n2)C2CC2)cc1.

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;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;5-[4-[2-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyridin-2-amine?

The InChIKey is HLMFJBYKAPUDGP-MJBZSYSDSA-N. The full InChI is InChI=1S/C26H29N7O2.C25H26FN7O2.C23H26N8O2.C23H23N5O/c1-16-21(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;1-14(2)23(3,18-7-5-15(6-8-18)16-9-26-22(24)27-10-16)21-29-20(33-30-21)17-11-28-31(12-17)13-19(32)25-4;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/h5-8,11-14,20H,9-10,15H2,1-4H3,(H2,27,29);4-7,10-13,19H,8-9,14H2,1-3H3,(H2,27,28);5-12,14H,13H2,1-4H3,(H,25,32)(H2,24,26,27);5-14H,4H2,1-3H3,(H2,24,26)/t26-;25-;;/m00../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;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;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;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;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 1779.08 g/mol, XLogP of 14.69, 26 rotatable bonds, 5 hydrogen bond donors, and 31 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;2-[4-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N-methylacetamide;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 158514672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).