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

C82H92BBrClN9O6 — CID 158626529

About 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine-1-carboxylate;4-(6-piperidin-4-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]piperidine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine-1-carboxylate;4-(6-piperidin-4-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride (PubChem CID 158626529) has the molecular formula C82H92BBrClN9O6 and a molecular weight of 1425.86 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]piperidine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine-1-carboxylate;4-(6-piperidin-4-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]piperidine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine-1-carboxylate;4-(6-piperidin-4-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride
• PubChem CID: 158626529
• Molecular Formula: C82H92BBrClN9O6
• Molecular Weight: 1425.86 g/mol
• Exact Mass: 1423.61
• IUPAC Name: 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine-1-carboxylate;4-(6-piperidin-4-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride
• SMILES: Brc1ccnc2c1-c1ccccc1C2.CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccnc4c3-c3ccccc3C4)n2)CC1.CC(C)(C)OC(=O)N1CCC(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1.Cl.c1cc(-c2ccnc3c2-c2ccccc2C3)nc(C2CCNCC2)c1
• InChI: InChI=1S/C27H29N3O2.C22H21N3.C21H33BN2O4.C12H8BrN.ClH/c1-27(2,3)32-26(31)30-15-12-18(13-16-30)22-9-6-10-23(29-22)21-11-14-28-24-17-19-7-4-5-8-20(19)25(21)24;1-2-5-17-16(4-1)14-21-22(17)18(10-13-24-21)20-7-3-6-19(25-20)15-8-11-23-12-9-15;1-19(2,3)26-18(25)24-13-11-15(12-14-24)16-9-8-10-17(23-16)22-27-20(4,5)21(6,7)28-22;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;/h4-11,14,18H,12-13,15-17H2,1-3H3;1-7,10,13,15,23H,8-9,11-12,14H2;8-10,15H,11-14H2,1-7H3;1-6H,7H2;1H
• InChIKey: FCBBNXMSACZDOW-UHFFFAOYSA-N
• XLogP: 17.34
• TPSA: 166.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1425.86
LogP ≤ 5	17.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

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]piperidine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine-1-carboxylate;4-(6-piperidin-4-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]piperidine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine-1-carboxylate;4-(6-piperidin-4-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride (CID 158626529) is 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[6-(9H-indeno[2,1-b]pyridin-4-yl)-2-pyridinyl]piperidine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine-1-carboxylate;4-(6-piperidin-4-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]piperidine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine-1-carboxylate;4-(6-piperidin-4-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]piperidine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine-1-carboxylate;4-(6-piperidin-4-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride is Brc1ccnc2c1-c1ccccc1C2.CC(C)(C)OC(=O)N1CCC(c2cccc(-c3ccnc4c3-c3ccccc3C4)n2)CC1.CC(C)(C)OC(=O)N1CCC(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)CC1.Cl.c1cc(-c2ccnc3c2-c2ccccc2C3)nc(C2CCNCC2)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]piperidine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine-1-carboxylate;4-(6-piperidin-4-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride?

The InChIKey is FCBBNXMSACZDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2.C22H21N3.C21H33BN2O4.C12H8BrN.ClH/c1-27(2,3)32-26(31)30-15-12-18(13-16-30)22-9-6-10-23(29-22)21-11-14-28-24-17-19-7-4-5-8-20(19)25(21)24;1-2-5-17-16(4-1)14-21-22(17)18(10-13-24-21)20-7-3-6-19(25-20)15-8-11-23-12-9-15;1-19(2,3)26-18(25)24-13-11-15(12-14-24)16-9-8-10-17(23-16)22-27-20(4,5)21(6,7)28-22;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;/h4-11,14,18H,12-13,15-17H2,1-3H3;1-7,10,13,15,23H,8-9,11-12,14H2;8-10,15H,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]piperidine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine-1-carboxylate;4-(6-piperidin-4-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]piperidine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine-1-carboxylate;4-(6-piperidin-4-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride has a molecular weight of 1425.86 g/mol, XLogP of 17.34, 6 rotatable bonds, 1 hydrogen bond donors, and 13 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]piperidine-1-carboxylate;tert-butyl 4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]piperidine-1-carboxylate;4-(6-piperidin-4-yl-2-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride is sourced from PubChem (CID 158626529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).