5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazolidin-2-one

C₅₈H₇₂BBrN₁₆O₈S₂ — CID 159632571

About 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazolidin-2-one

5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 159632571) has the molecular formula C₅₈H₇₂BBrN₁₆O₈S₂ and a molecular weight of 1276.17 g/mol. Its IUPAC name is 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazolidin-2-one
• PubChem CID: 159632571
• Molecular Formula: C₅₈H₇₂BBrN₁₆O₈S₂
• Molecular Weight: 1276.17 g/mol
• Exact Mass: 1274.44
• IUPAC Name: 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazolidin-2-one
• SMILES: CC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5ccc(N6CCNC6=O)nc5)nc4s3)CC2)n1.CC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(Br)nc4s3)CC2)n1.CC1(C)OB(c2ccc(N3CCNC3=O)nc2)OC1(C)C
• InChI: InChI=1S/C26H30N8O3S.C18H22BrN5O2S.C14H20BN3O3/c1-15(2)22-31-25(37-32-22)33-11-8-17(9-12-33)16(3)36-26-30-20-6-5-19(29-23(20)38-26)18-4-7-21(28-14-18)34-13-10-27-24(34)35;1-10(2)15-22-17(26-23-15)24-8-6-12(7-9-24)11(3)25-18-20-13-4-5-14(19)21-16(13)27-18;1-13(2)14(3,4)21-15(20-13)10-5-6-11(17-9-10)18-8-7-16-12(18)19/h4-7,14-17H,8-13H2,1-3H3,(H,27,35);4-5,10-12H,6-9H2,1-3H3;5-6,9H,7-8H2,1-4H3,(H,16,19)
• InChIKey: MPHVNFCEEBTOLA-UHFFFAOYSA-N
• XLogP: 10.03
• TPSA: 263.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1276.17
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazolidin-2-one?

The IUPAC name of 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazolidin-2-one (CID 159632571) is 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazolidin-2-one.

What is the SMILES notation for 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazolidin-2-one?

The canonical SMILES for 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazolidin-2-one is CC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(-c5ccc(N6CCNC6=O)nc5)nc4s3)CC2)n1.CC(C)c1noc(N2CCC(C(C)Oc3nc4ccc(Br)nc4s3)CC2)n1.CC1(C)OB(c2ccc(N3CCNC3=O)nc2)OC1(C)C.

What is the InChIKey of 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazolidin-2-one?

The InChIKey is MPHVNFCEEBTOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O3S.C18H22BrN5O2S.C14H20BN3O3/c1-15(2)22-31-25(37-32-22)33-11-8-17(9-12-33)16(3)36-26-30-20-6-5-19(29-23(20)38-26)18-4-7-21(28-14-18)34-13-10-27-24(34)35;1-10(2)15-22-17(26-23-15)24-8-6-12(7-9-24)11(3)25-18-20-13-4-5-14(19)21-16(13)27-18;1-13(2)14(3,4)21-15(20-13)10-5-6-11(17-9-10)18-8-7-16-12(18)19/h4-7,14-17H,8-13H2,1-3H3,(H,27,35);4-5,10-12H,6-9H2,1-3H3;5-6,9H,7-8H2,1-4H3,(H,16,19).

What are the key properties of 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazolidin-2-one?

5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 1276.17 g/mol, XLogP of 10.03, 14 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[1-[(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole;1-[5-[2-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethoxy]-[1,3]thiazolo[5,4-b]pyridin-5-yl]-2-pyridinyl]imidazolidin-2-one;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 159632571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159632571 — identifiers, structure, computed properties (public domain)

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