1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

C117H135N39O11 — CID 157494846

About 1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine

1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 157494846) has the molecular formula C117H135N39O11 and a molecular weight of 2263.63 g/mol. Its IUPAC name is 1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
• PubChem CID: 157494846
• Molecular Formula: C117H135N39O11
• Molecular Weight: 2263.63 g/mol
• Exact Mass: 2262.12
• IUPAC Name: 1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
• SMILES: CC(C)(O)Cn1cc(-c2nc([C@](C)(c3ccc(-c4ccc(N)nc4)nc3)C3CC3)no2)cn1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2ccc(NCC(C)(C)O)nn2)n1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(C3COC3)c2)n1.COCCOCCn1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.COCCn1cc(-c2nc([C@](C)(c3ccc(-c4ccc(N)nc4)nc3)C3CC3)no2)cn1
• InChI: InChI=1S/C24H29N9O2.C24H30N8O3.C24H27N7O2.C23H25N7O2.C22H24N8O2/c1-14(2)24(5,16-6-7-17(26-12-16)15-10-27-22(25)28-11-15)21-30-20(35-33-21)18-8-9-19(32-31-18)29-13-23(3,4)34;1-16(2)24(3,19-5-6-20(26-14-19)17-11-27-23(25)28-12-17)22-30-21(35-31-22)18-13-29-32(15-18)7-8-34-10-9-33-4;1-23(2,32)14-31-13-16(11-28-31)21-29-22(30-33-21)24(3,17-5-6-17)18-7-8-19(26-12-18)15-4-9-20(25)27-10-15;1-23(17-4-5-17,18-6-7-19(25-13-18)15-3-8-20(24)26-11-15)22-28-21(32-29-22)16-12-27-30(14-16)9-10-31-2;1-13(2)22(3,16-4-5-18(24-9-16)14-6-25-21(23)26-7-14)20-28-19(32-29-20)15-8-27-30(10-15)17-11-31-12-17/h6-12,14,34H,13H2,1-5H3,(H,29,32)(H2,25,27,28);5-6,11-16H,7-10H2,1-4H3,(H2,25,27,28);4,7-13,17,32H,5-6,14H2,1-3H3,(H2,25,27);3,6-8,11-14,17H,4-5,9-10H2,1-2H3,(H2,24,26);4-10,13,17H,11-12H2,1-3H3,(H2,23,25,26)/t;;24-;23-;22-/m..001/s1
• InChIKey: BXRZJCSHBOGOBQ-YJXRCNRJSA-N
• XLogP: 15.79
• TPSA: 678.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 50
• Rotatable Bonds: 40
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2263.63
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The IUPAC name of 1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 157494846) is 1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for 1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for 1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is CC(C)(O)Cn1cc(-c2nc([C@](C)(c3ccc(-c4ccc(N)nc4)nc3)C3CC3)no2)cn1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2ccc(NCC(C)(C)O)nn2)n1.CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(C3COC3)c2)n1.COCCOCCn1cc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)no2)cn1.COCCn1cc(-c2nc([C@](C)(c3ccc(-c4ccc(N)nc4)nc3)C3CC3)no2)cn1.

What is the InChIKey of 1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The InChIKey is BXRZJCSHBOGOBQ-YJXRCNRJSA-N. The full InChI is InChI=1S/C24H29N9O2.C24H30N8O3.C24H27N7O2.C23H25N7O2.C22H24N8O2/c1-14(2)24(5,16-6-7-17(26-12-16)15-10-27-22(25)28-11-15)21-30-20(35-33-21)18-8-9-19(32-31-18)29-13-23(3,4)34;1-16(2)24(3,19-5-6-20(26-14-19)17-11-27-23(25)28-12-17)22-30-21(35-31-22)18-13-29-32(15-18)7-8-34-10-9-33-4;1-23(2,32)14-31-13-16(11-28-31)21-29-22(30-33-21)24(3,17-5-6-17)18-7-8-19(26-12-18)15-4-9-20(25)27-10-15;1-23(17-4-5-17,18-6-7-19(25-13-18)15-3-8-20(24)26-11-15)22-28-21(32-29-22)16-12-27-30(14-16)9-10-31-2;1-13(2)22(3,16-4-5-18(24-9-16)14-6-25-21(23)26-7-14)20-28-19(32-29-20)15-8-27-30(10-15)17-11-31-12-17/h6-12,14,34H,13H2,1-5H3,(H,29,32)(H2,25,27,28);5-6,11-16H,7-10H2,1-4H3,(H2,25,27,28);4,7-13,17,32H,5-6,14H2,1-3H3,(H2,25,27);3,6-8,11-14,17H,4-5,9-10H2,1-2H3,(H2,24,26);4-10,13,17H,11-12H2,1-3H3,(H2,23,25,26)/t;;24-;23-;22-/m..001/s1.

What are the key properties of 1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine?

1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 2263.63 g/mol, XLogP of 15.79, 40 rotatable bonds, 8 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-[(1S)-1-[6-(6-amino-3-pyridinyl)-3-pyridinyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-2-methylpropan-2-ol;1-[[6-[3-[2-[6-(2-aminopyrimidin-5-yl)-3-pyridinyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]amino]-2-methylpropan-2-ol;5-[5-[(1S)-1-cyclopropyl-1-[5-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]ethyl]-2-pyridinyl]pyridin-2-amine;5-[5-[2-[5-[1-[2-(2-methoxyethoxy)ethyl]pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[5-[(2R)-3-methyl-2-[5-[1-(oxetan-3-yl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 157494846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).