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

C96H103BBrCl3N14O6 — CID 158855913

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

4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl formate;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)-3-pyridinyl]piperazine-1-carboxylate;4-(3-chloro-4-pyridinyl)-9H-indeno[2,1-b]pyridine;3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;piperazine;4-(3-piperazin-1-yl-4-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride (PubChem CID 158855913) has the molecular formula C96H103BBrCl3N14O6 and a molecular weight of 1746.05 g/mol. Its IUPAC name is 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl formate;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)-3-pyridinyl]piperazine-1-carboxylate;4-(3-chloro-4-pyridinyl)-9H-indeno[2,1-b]pyridine;3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;piperazine;4-(3-piperazin-1-yl-4-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride.

Molecular Properties

• Compound Name: 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl formate;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)-3-pyridinyl]piperazine-1-carboxylate;4-(3-chloro-4-pyridinyl)-9H-indeno[2,1-b]pyridine;3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;piperazine;4-(3-piperazin-1-yl-4-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride
• PubChem CID: 158855913
• Molecular Formula: C96H103BBrCl3N14O6
• Molecular Weight: 1746.05 g/mol
• Exact Mass: 1742.65
• IUPAC Name: 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl formate;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)-3-pyridinyl]piperazine-1-carboxylate;4-(3-chloro-4-pyridinyl)-9H-indeno[2,1-b]pyridine;3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;piperazine;4-(3-piperazin-1-yl-4-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride
• SMILES: Brc1ccnc2c1-c1ccccc1C2.C1CNCCN1.CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccnc3c2-c2ccccc2C3)CC1.CC(C)(C)OC=O.CC1(C)OB(c2ccncc2Cl)OC1(C)C.Cl.Clc1cnccc1-c1ccnc2c1-c1ccccc1C2.c1ccc2c(c1)Cc1nccc(-c3ccncc3N3CCNCC3)c1-2
• InChI: InChI=1S/C26H28N4O2.C21H20N4.C17H11ClN2.C12H8BrN.C11H15BClNO2.C5H10O2.C4H10N2.ClH/c1-26(2,3)32-25(31)30-14-12-29(13-15-30)23-17-27-10-8-20(23)21-9-11-28-22-16-18-6-4-5-7-19(18)24(21)22;1-2-4-16-15(3-1)13-19-21(16)18(6-8-24-19)17-5-7-23-14-20(17)25-11-9-22-10-12-25;18-15-10-19-7-5-13(15)14-6-8-20-16-9-11-3-1-2-4-12(11)17(14)16;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;1-10(2)11(3,4)16-12(15-10)8-5-6-14-7-9(8)13;1-5(2,3)7-4-6;1-2-6-4-3-5-1;/h4-11,17H,12-16H2,1-3H3;1-8,14,22H,9-13H2;1-8,10H,9H2;1-6H,7H2;5-7H,1-4H3;4H,1-3H3;5-6H,1-4H2;1H
• InChIKey: HGVCIMLEGSJTAZ-UHFFFAOYSA-N
• XLogP: 18.27
• TPSA: 219.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1746.05
LogP ≤ 5	18.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 formate;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)-3-pyridinyl]piperazine-1-carboxylate;4-(3-chloro-4-pyridinyl)-9H-indeno[2,1-b]pyridine;3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;piperazine;4-(3-piperazin-1-yl-4-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride?

The IUPAC name of 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl formate;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)-3-pyridinyl]piperazine-1-carboxylate;4-(3-chloro-4-pyridinyl)-9H-indeno[2,1-b]pyridine;3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;piperazine;4-(3-piperazin-1-yl-4-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride (CID 158855913) is 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl formate;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)-3-pyridinyl]piperazine-1-carboxylate;4-(3-chloro-4-pyridinyl)-9H-indeno[2,1-b]pyridine;3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;piperazine;4-(3-piperazin-1-yl-4-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride.

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

The canonical SMILES for 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl formate;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)-3-pyridinyl]piperazine-1-carboxylate;4-(3-chloro-4-pyridinyl)-9H-indeno[2,1-b]pyridine;3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;piperazine;4-(3-piperazin-1-yl-4-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride is Brc1ccnc2c1-c1ccccc1C2.C1CNCCN1.CC(C)(C)OC(=O)N1CCN(c2cnccc2-c2ccnc3c2-c2ccccc2C3)CC1.CC(C)(C)OC=O.CC1(C)OB(c2ccncc2Cl)OC1(C)C.Cl.Clc1cnccc1-c1ccnc2c1-c1ccccc1C2.c1ccc2c(c1)Cc1nccc(-c3ccncc3N3CCNCC3)c1-2.

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

The InChIKey is HGVCIMLEGSJTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2.C21H20N4.C17H11ClN2.C12H8BrN.C11H15BClNO2.C5H10O2.C4H10N2.ClH/c1-26(2,3)32-25(31)30-14-12-29(13-15-30)23-17-27-10-8-20(23)21-9-11-28-22-16-18-6-4-5-7-19(18)24(21)22;1-2-4-16-15(3-1)13-19-21(16)18(6-8-24-19)17-5-7-23-14-20(17)25-11-9-22-10-12-25;18-15-10-19-7-5-13(15)14-6-8-20-16-9-11-3-1-2-4-12(11)17(14)16;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;1-10(2)11(3,4)16-12(15-10)8-5-6-14-7-9(8)13;1-5(2,3)7-4-6;1-2-6-4-3-5-1;/h4-11,17H,12-16H2,1-3H3;1-8,14,22H,9-13H2;1-8,10H,9H2;1-6H,7H2;5-7H,1-4H3;4H,1-3H3;5-6H,1-4H2;1H.

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

4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl formate;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)-3-pyridinyl]piperazine-1-carboxylate;4-(3-chloro-4-pyridinyl)-9H-indeno[2,1-b]pyridine;3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;piperazine;4-(3-piperazin-1-yl-4-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride has a molecular weight of 1746.05 g/mol, XLogP of 18.27, 7 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl formate;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)-3-pyridinyl]piperazine-1-carboxylate;4-(3-chloro-4-pyridinyl)-9H-indeno[2,1-b]pyridine;3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;piperazine;4-(3-piperazin-1-yl-4-pyridinyl)-9H-indeno[2,1-b]pyridine;hydrochloride is sourced from PubChem (CID 158855913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).