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;1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[2-[5-[3-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2R)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine

C110H125N35O7 — CID 159929999

About 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;1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[2-[5-[3-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2R)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine

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;1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[2-[5-[3-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2R)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine (PubChem CID 159929999) has the molecular formula C110H125N35O7 and a molecular weight of 2049.45 g/mol. Its IUPAC name is 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;1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[2-[5-[3-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2R)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 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;1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[2-[5-[3-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2R)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
• PubChem CID: 159929999
• Molecular Formula: C110H125N35O7
• Molecular Weight: 2049.45 g/mol
• Exact Mass: 2048.05
• IUPAC Name: 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;1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[2-[5-[3-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2R)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
• SMILES: CC(C)(O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(CCCN(C)C)n1.CC(C)[C@@](C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2ccn[nH]2)n1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2ccn[nH]2)n1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1
• InChI: InChI=1S/C24H26N8O2.C24H27N7O2.C22H30N6O.2C20H21N7O/c1-24(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;1-23(2,32)14-31-13-17(12-28-31)20-29-21(30-33-20)24(3,19-8-9-19)18-6-4-15(5-7-18)16-10-26-22(25)27-11-16;1-15(2)22(3,20-26-19(29-27-20)7-6-12-28(4)5)18-10-8-16(9-11-18)17-13-24-21(23)25-14-17;2*1-12(2)20(3,18-25-17(28-27-18)16-8-9-24-26-16)15-6-4-13(5-7-15)14-10-22-19(21)23-11-14/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27);4-7,10-13,19,32H,8-9,14H2,1-3H3,(H2,25,26,27);8-11,13-15H,6-7,12H2,1-5H3,(H2,23,24,25);2*4-12H,1-3H3,(H,24,26)(H2,21,22,23)/t2*24-;;2*20-/m00.10/s1
• InChIKey: NZNBYXBOVOQDCQ-SMQRYNMNSA-N
• XLogP: 16.72
• TPSA: 590.38 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 32
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2049.45
LogP ≤ 5	16.72
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 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;1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[2-[5-[3-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2R)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?

The IUPAC name of 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;1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[2-[5-[3-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2R)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine (CID 159929999) is 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;1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[2-[5-[3-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2R)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for 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;1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[2-[5-[3-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2R)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?

The canonical SMILES for 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;1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[2-[5-[3-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2R)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine is CC(C)(O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(CCCN(C)C)n1.CC(C)[C@@](C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2ccn[nH]2)n1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2ccn[nH]2)n1.CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.

What is the InChIKey of 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;1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[2-[5-[3-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2R)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?

The InChIKey is NZNBYXBOVOQDCQ-SMQRYNMNSA-N. The full InChI is InChI=1S/C24H26N8O2.C24H27N7O2.C22H30N6O.2C20H21N7O/c1-24(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;1-23(2,32)14-31-13-17(12-28-31)20-29-21(30-33-20)24(3,19-8-9-19)18-6-4-15(5-7-18)16-10-26-22(25)27-11-16;1-15(2)22(3,20-26-19(29-27-20)7-6-12-28(4)5)18-10-8-16(9-11-18)17-13-24-21(23)25-14-17;2*1-12(2)20(3,18-25-17(28-27-18)16-8-9-24-26-16)15-6-4-13(5-7-15)14-10-22-19(21)23-11-14/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27);4-7,10-13,19,32H,8-9,14H2,1-3H3,(H2,25,26,27);8-11,13-15H,6-7,12H2,1-5H3,(H2,23,24,25);2*4-12H,1-3H3,(H,24,26)(H2,21,22,23)/t2*24-;;2*20-/m00.10/s1.

What are the key properties of 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;1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[2-[5-[3-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2R)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?

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;1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[2-[5-[3-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2R)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine has a molecular weight of 2049.45 g/mol, XLogP of 16.72, 32 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 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;1-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;5-[4-[2-[5-[3-(dimethylamino)propyl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2R)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[(2S)-3-methyl-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159929999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).