4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(7H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

C64H66BBr2Cl2N7O6 — CID 159122295

About 4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(7H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine

4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(7H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 159122295) has the molecular formula C64H66BBr2Cl2N7O6 and a molecular weight of 1270.80 g/mol. Its IUPAC name is 4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(7H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

• Compound Name: 4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(7H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
• PubChem CID: 159122295
• Molecular Formula: C64H66BBr2Cl2N7O6
• Molecular Weight: 1270.80 g/mol
• Exact Mass: 1267.29
• IUPAC Name: 4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(7H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
• SMILES: Brc1ccnc2c1CCC2.CC1(C)OB(c2ccnc3c2CCC3)OC1(C)C.O=C(c1ccc(-c2cncc(-c3ccnc4c3C=CC4)c2)c(Cl)c1)N1CCC(O)CC1.O=C(c1ccc(-c2cncc(Br)c2)c(Cl)c1)N1CCC(O)CC1
• InChI: InChI=1S/C25H22ClN3O2.C17H16BrClN2O2.C14H20BNO2.C8H8BrN/c26-23-13-16(25(31)29-10-7-19(30)8-11-29)4-5-21(23)18-12-17(14-27-15-18)20-6-9-28-24-3-1-2-22(20)24;18-13-7-12(9-20-10-13)15-2-1-11(8-16(15)19)17(23)21-5-3-14(22)4-6-21;1-13(2)14(3,4)18-15(17-13)11-8-9-16-12-7-5-6-10(11)12;9-7-4-5-10-8-3-1-2-6(7)8/h1-2,4-6,9,12-15,19,30H,3,7-8,10-11H2;1-2,7-10,14,22H,3-6H2;8-9H,5-7H2,1-4H3;4-5H,1-3H2
• InChIKey: KFVQLJUAWCZPES-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 163.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1270.80
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(7H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?

The IUPAC name of 4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(7H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 159122295) is 4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(7H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine.

What is the SMILES notation for 4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(7H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?

The canonical SMILES for 4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(7H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is Brc1ccnc2c1CCC2.CC1(C)OB(c2ccnc3c2CCC3)OC1(C)C.O=C(c1ccc(-c2cncc(-c3ccnc4c3C=CC4)c2)c(Cl)c1)N1CCC(O)CC1.O=C(c1ccc(-c2cncc(Br)c2)c(Cl)c1)N1CCC(O)CC1.

What is the InChIKey of 4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(7H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?

The InChIKey is KFVQLJUAWCZPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2.C17H16BrClN2O2.C14H20BNO2.C8H8BrN/c26-23-13-16(25(31)29-10-7-19(30)8-11-29)4-5-21(23)18-12-17(14-27-15-18)20-6-9-28-24-3-1-2-22(20)24;18-13-7-12(9-20-10-13)15-2-1-11(8-16(15)19)17(23)21-5-3-14(22)4-6-21;1-13(2)14(3,4)18-15(17-13)11-8-9-16-12-7-5-6-10(11)12;9-7-4-5-10-8-3-1-2-6(7)8/h1-2,4-6,9,12-15,19,30H,3,7-8,10-11H2;1-2,7-10,14,22H,3-6H2;8-9H,5-7H2,1-4H3;4-5H,1-3H2.

What are the key properties of 4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(7H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine?

4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(7H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 1270.80 g/mol, XLogP of 12.59, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-6,7-dihydro-5H-cyclopenta[b]pyridine;[4-(5-bromo-3-pyridinyl)-3-chlorophenyl]-(4-hydroxypiperidin-1-yl)methanone;[3-chloro-4-[5-(7H-cyclopenta[b]pyridin-4-yl)-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 159122295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).