2-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclopropyl-1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine

C95H101N29O7 — CID 158788790

About 2-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclopropyl-1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine

2-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclopropyl-1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine (PubChem CID 158788790) has the molecular formula C95H101N29O7 and a molecular weight of 1761.05 g/mol. Its IUPAC name is 2-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclopropyl-1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 2-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclopropyl-1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine
• PubChem CID: 158788790
• Molecular Formula: C95H101N29O7
• Molecular Weight: 1761.05 g/mol
• Exact Mass: 1759.84
• IUPAC Name: 2-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclopropyl-1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine
• SMILES: CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)cc3)C3CC3)no2)cn1.COCCNc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.COCCNc1cnc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.Cn1cc(-c2nc([C@@](C)(c3ccc(-c4ccc(N)nc4)cc3)C3CC3)no2)cn1
• InChI: InChI=1S/C25H27N7O2.2C24H26N8O2.C22H22N6O/c1-25(20-8-9-20,19-6-3-16(4-7-19)18-14-29-24(26)30-15-18)23-31-22(34-32-23)17-5-10-21(28-13-17)27-11-12-33-2;1-24(18-8-9-18,17-6-4-15(5-7-17)19-11-27-20(25)12-26-19)23-29-22(34-30-23)16-10-28-32(13-16)14-21(33)31(2)3;1-24(18-7-8-18,17-5-3-15(4-6-17)16-11-29-23(25)30-12-16)22-31-21(34-32-22)19-13-28-20(14-27-19)26-9-10-33-2;1-22(18-8-9-18,21-26-20(29-27-21)16-12-25-28(2)13-16)17-6-3-14(4-7-17)15-5-10-19(23)24-11-15/h3-7,10,13-15,20H,8-9,11-12H2,1-2H3,(H,27,28)(H2,26,29,30);4-7,10-13,18H,8-9,14H2,1-3H3,(H2,25,27);3-6,11-14,18H,7-10H2,1-2H3,(H,26,28)(H2,25,29,30);3-7,10-13,18H,8-9H2,1-2H3,(H2,23,24)/t;24-;;22-/m.0.0/s1
• InChIKey: IRZZYELRXRGTSB-LZZAVPIDSA-N
• XLogP: 13.89
• TPSA: 487.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 30
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1761.05
LogP ≤ 5	13.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclopropyl-1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine?

The IUPAC name of 2-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclopropyl-1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine (CID 158788790) is 2-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclopropyl-1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine.

What is the SMILES notation for 2-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclopropyl-1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine?

The canonical SMILES for 2-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclopropyl-1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine is CN(C)C(=O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)cn4)cc3)C3CC3)no2)cn1.COCCNc1ccc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.COCCNc1cnc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1.Cn1cc(-c2nc([C@@](C)(c3ccc(-c4ccc(N)nc4)cc3)C3CC3)no2)cn1.

What is the InChIKey of 2-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclopropyl-1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine?

The InChIKey is IRZZYELRXRGTSB-LZZAVPIDSA-N. The full InChI is InChI=1S/C25H27N7O2.2C24H26N8O2.C22H22N6O/c1-25(20-8-9-20,19-6-3-16(4-7-19)18-14-29-24(26)30-15-18)23-31-22(34-32-23)17-5-10-21(28-13-17)27-11-12-33-2;1-24(18-8-9-18,17-6-4-15(5-7-17)19-11-27-20(25)12-26-19)23-29-22(34-30-23)16-10-28-32(13-16)14-21(33)31(2)3;1-24(18-7-8-18,17-5-3-15(4-6-17)16-11-29-23(25)30-12-16)22-31-21(34-32-22)19-13-28-20(14-27-19)26-9-10-33-2;1-22(18-8-9-18,21-26-20(29-27-21)16-12-25-28(2)13-16)17-6-3-14(4-7-17)15-5-10-19(23)24-11-15/h3-7,10,13-15,20H,8-9,11-12H2,1-2H3,(H,27,28)(H2,26,29,30);4-7,10-13,18H,8-9,14H2,1-3H3,(H2,25,27);3-6,11-14,18H,7-10H2,1-2H3,(H,26,28)(H2,25,29,30);3-7,10-13,18H,8-9H2,1-2H3,(H2,23,24)/t;24-;;22-/m.0.0/s1.

What are the key properties of 2-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclopropyl-1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine?

2-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclopropyl-1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine has a molecular weight of 1761.05 g/mol, XLogP of 13.89, 30 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[(1R)-1-[4-(5-aminopyrazin-2-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide;5-[4-[1-cyclopropyl-1-[5-[5-(2-methoxyethylamino)pyrazin-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[1-cyclopropyl-1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyrimidin-2-amine;5-[4-[(1R)-1-cyclopropyl-1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]ethyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 158788790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).