4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;4-(6-piperazin-1-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride

C79H89BBrClN12O6 — CID 159765680

About 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;4-(6-piperazin-1-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride

4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;4-(6-piperazin-1-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride (PubChem CID 159765680) has the molecular formula C79H89BBrClN12O6 and a molecular weight of 1428.83 g/mol. Its IUPAC name is 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;4-(6-piperazin-1-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride.

Molecular Properties

• Compound Name: 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;4-(6-piperazin-1-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride
• PubChem CID: 159765680
• Molecular Formula: C79H89BBrClN12O6
• Molecular Weight: 1428.83 g/mol
• Exact Mass: 1426.60
• IUPAC Name: 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;4-(6-piperazin-1-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride
• SMILES: Brc1ccnc2c1-c1ccccc1C2.CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc4c3-c3ccccc3C4)n2)CC1.CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1.Cl.c1cc(-c2ccnc3c2-c2ccccc2C3)nc(N2CCNCC2)c1
• InChI: InChI=1S/C26H28N4O2.C21H20N4.C20H32BN3O4.C12H8BrN.ClH/c1-26(2,3)32-25(31)30-15-13-29(14-16-30)23-10-6-9-21(28-23)20-11-12-27-22-17-18-7-4-5-8-19(18)24(20)22;1-2-5-16-15(4-1)14-19-21(16)17(8-9-23-19)18-6-3-7-20(24-18)25-12-10-22-11-13-25;1-18(2,3)26-17(25)24-13-11-23(12-14-24)16-10-8-9-15(22-16)21-27-19(4,5)20(6,7)28-21;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;/h4-12H,13-17H2,1-3H3;1-9,22H,10-14H2;8-10H,11-14H2,1-7H3;1-6H,7H2;1H
• InChIKey: WCIUYBNZURZCHJ-UHFFFAOYSA-N
• XLogP: 14.17
• TPSA: 176.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1428.83
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;4-(6-piperazin-1-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride?

The IUPAC name of 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;4-(6-piperazin-1-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride (CID 159765680) is 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;4-(6-piperazin-1-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride.

What is the SMILES notation for 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;4-(6-piperazin-1-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride?

The canonical SMILES for 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;4-(6-piperazin-1-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride is Brc1ccnc2c1-c1ccccc1C2.CC(C)(C)OC(=O)N1CCN(c2cccc(-c3ccnc4c3-c3ccccc3C4)n2)CC1.CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1.Cl.c1cc(-c2ccnc3c2-c2ccccc2C3)nc(N2CCNCC2)c1.

What is the InChIKey of 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;4-(6-piperazin-1-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride?

The InChIKey is WCIUYBNZURZCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2.C21H20N4.C20H32BN3O4.C12H8BrN.ClH/c1-26(2,3)32-25(31)30-15-13-29(14-16-30)23-10-6-9-21(28-23)20-11-12-27-22-17-18-7-4-5-8-19(18)24(20)22;1-2-5-16-15(4-1)14-19-21(16)17(8-9-23-19)18-6-3-7-20(24-18)25-12-10-22-11-13-25;1-18(2,3)26-17(25)24-13-11-23(12-14-24)16-10-8-9-15(22-16)21-27-19(4,5)20(6,7)28-21;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;/h4-12H,13-17H2,1-3H3;1-9,22H,10-14H2;8-10H,11-14H2,1-7H3;1-6H,7H2;1H.

What are the key properties of 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;4-(6-piperazin-1-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride?

4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;4-(6-piperazin-1-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride has a molecular weight of 1428.83 g/mol, XLogP of 14.17, 6 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperazine-1-carboxylate;4-(6-piperazin-1-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride is sourced from PubChem (CID 159765680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).