[2-amino-5-[4-[3-methyl-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]-3-pyridinyl]methanol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidin-2-one;5-[4-[2-[5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine

C109H113ClN30O8 — CID 158403372

About [2-amino-5-[4-[3-methyl-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]-3-pyridinyl]methanol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidin-2-one;5-[4-[2-[5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine

[2-amino-5-[4-[3-methyl-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]-3-pyridinyl]methanol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidin-2-one;5-[4-[2-[5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine (PubChem CID 158403372) has the molecular formula C109H113ClN30O8 and a molecular weight of 2006.76 g/mol. Its IUPAC name is [2-amino-5-[4-[3-methyl-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]-3-pyridinyl]methanol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidin-2-one;5-[4-[2-[5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: [2-amino-5-[4-[3-methyl-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]-3-pyridinyl]methanol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidin-2-one;5-[4-[2-[5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine
• PubChem CID: 158403372
• Molecular Formula: C109H113ClN30O8
• Molecular Weight: 2006.76 g/mol
• Exact Mass: 2004.90
• IUPAC Name: [2-amino-5-[4-[3-methyl-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]-3-pyridinyl]methanol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidin-2-one;5-[4-[2-[5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine
• SMILES: CC(C)C(C)(c1ccc(-c2cnc(N)c(CO)c2)cc1)c1noc(-c2cccnc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2ccc(Cl)nc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2cnc(=O)[nH]c2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(C2CC2)n1.COc1ncc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)no2)cn1
• InChI: InChI=1S/C24H25N5O2.C22H21ClN6O.C22H23N7O2.C21H21N7O2.C20H23N5O/c1-15(2)24(3,23-28-22(31-29-23)17-5-4-10-26-12-17)20-8-6-16(7-9-20)18-11-19(14-30)21(25)27-13-18;1-13(2)22(3,20-28-19(30-29-20)15-6-9-18(23)25-10-15)17-7-4-14(5-8-17)16-11-26-21(24)27-12-16;1-13(2)22(3,17-7-5-14(6-8-17)15-9-24-20(23)25-10-15)19-28-18(31-29-19)16-11-26-21(30-4)27-12-16;1-12(2)21(3,18-27-17(30-28-18)15-10-25-20(29)26-11-15)16-6-4-13(5-7-16)14-8-23-19(22)24-9-14;1-12(2)20(3,18-24-17(26-25-18)14-4-5-14)16-8-6-13(7-9-16)15-10-22-19(21)23-11-15/h4-13,15,30H,14H2,1-3H3,(H2,25,27);4-13H,1-3H3,(H2,24,26,27);5-13H,1-4H3,(H2,23,24,25);4-12H,1-3H3,(H2,22,23,24)(H,25,26,29);6-12,14H,4-5H2,1-3H3,(H2,21,22,23)
• InChIKey: GYJKGLMQHIKYNM-UHFFFAOYSA-N
• XLogP: 19.32
• TPSA: 567.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2006.76
LogP ≤ 5	19.32
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-[4-[3-methyl-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]-3-pyridinyl]methanol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidin-2-one;5-[4-[2-[5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine?

The IUPAC name of [2-amino-5-[4-[3-methyl-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]-3-pyridinyl]methanol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidin-2-one;5-[4-[2-[5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine (CID 158403372) is [2-amino-5-[4-[3-methyl-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]-3-pyridinyl]methanol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidin-2-one;5-[4-[2-[5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for [2-amino-5-[4-[3-methyl-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]-3-pyridinyl]methanol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidin-2-one;5-[4-[2-[5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine?

The canonical SMILES for [2-amino-5-[4-[3-methyl-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]-3-pyridinyl]methanol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidin-2-one;5-[4-[2-[5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine is CC(C)C(C)(c1ccc(-c2cnc(N)c(CO)c2)cc1)c1noc(-c2cccnc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2ccc(Cl)nc2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(-c2cnc(=O)[nH]c2)n1.CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1noc(C2CC2)n1.COc1ncc(-c2nc(C(C)(c3ccc(-c4cnc(N)nc4)cc3)C(C)C)no2)cn1.

What is the InChIKey of [2-amino-5-[4-[3-methyl-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]-3-pyridinyl]methanol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidin-2-one;5-[4-[2-[5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine?

The InChIKey is GYJKGLMQHIKYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2.C22H21ClN6O.C22H23N7O2.C21H21N7O2.C20H23N5O/c1-15(2)24(3,23-28-22(31-29-23)17-5-4-10-26-12-17)20-8-6-16(7-9-20)18-11-19(14-30)21(25)27-13-18;1-13(2)22(3,20-28-19(30-29-20)15-6-9-18(23)25-10-15)17-7-4-14(5-8-17)16-11-26-21(24)27-12-16;1-13(2)22(3,17-7-5-14(6-8-17)15-9-24-20(23)25-10-15)19-28-18(31-29-19)16-11-26-21(30-4)27-12-16;1-12(2)21(3,18-27-17(30-28-18)15-10-25-20(29)26-11-15)16-6-4-13(5-7-16)14-8-23-19(22)24-9-14;1-12(2)20(3,18-24-17(26-25-18)14-4-5-14)16-8-6-13(7-9-16)15-10-22-19(21)23-11-15/h4-13,15,30H,14H2,1-3H3,(H2,25,27);4-13H,1-3H3,(H2,24,26,27);5-13H,1-4H3,(H2,23,24,25);4-12H,1-3H3,(H2,22,23,24)(H,25,26,29);6-12,14H,4-5H2,1-3H3,(H2,21,22,23).

What are the key properties of [2-amino-5-[4-[3-methyl-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]-3-pyridinyl]methanol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidin-2-one;5-[4-[2-[5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine?

[2-amino-5-[4-[3-methyl-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]-3-pyridinyl]methanol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidin-2-one;5-[4-[2-[5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine has a molecular weight of 2006.76 g/mol, XLogP of 19.32, 27 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for [2-amino-5-[4-[3-methyl-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)butan-2-yl]phenyl]-3-pyridinyl]methanol;5-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-3-methylbutan-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyrimidin-2-one;5-[4-[2-[5-(6-chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[2-[5-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-3-yl]-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 158403372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).