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

C76H89BBrClN12O6 — CID 159604906

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

4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride (PubChem CID 159604906) has the molecular formula C76H89BBrClN12O6 and a molecular weight of 1392.79 g/mol. Its IUPAC name is 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride.

Molecular Properties

• Compound Name: 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride
• PubChem CID: 159604906
• Molecular Formula: C76H89BBrClN12O6
• Molecular Weight: 1392.79 g/mol
• Exact Mass: 1390.60
• IUPAC Name: 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride
• SMILES: Brc1ccnc2c1-c1ccccc1C2.CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccnc4c3-c3ccccc3C4)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.Cl.c1ccc2c(c1)Cc1nccc(-c3cnn(C4CCNCC4)c3)c1-2
• InChI: InChI=1S/C25H28N4O2.C20H20N4.C19H32BN3O4.C12H8BrN.ClH/c1-25(2,3)31-24(30)28-12-9-19(10-13-28)29-16-18(15-27-29)21-8-11-26-22-14-17-6-4-5-7-20(17)23(21)22;1-2-4-17-14(3-1)11-19-20(17)18(7-10-22-19)15-12-23-24(13-15)16-5-8-21-9-6-16;1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;/h4-8,11,15-16,19H,9-10,12-14H2,1-3H3;1-4,7,10,12-13,16,21H,5-6,8-9,11H2;12-13,15H,8-11H2,1-7H3;1-6H,7H2;1H
• InChIKey: JTRISYBCUTWGTR-UHFFFAOYSA-N
• XLogP: 15.12
• TPSA: 181.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1392.79
LogP ≤ 5	15.12
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-[4-(9H-indeno[2,1-b]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride?

The IUPAC name of 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride (CID 159604906) is 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride.

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

The canonical SMILES for 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride is Brc1ccnc2c1-c1ccccc1C2.CC(C)(C)OC(=O)N1CCC(n2cc(-c3ccnc4c3-c3ccccc3C4)cn2)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1.Cl.c1ccc2c(c1)Cc1nccc(-c3cnn(C4CCNCC4)c3)c1-2.

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

The InChIKey is JTRISYBCUTWGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2.C20H20N4.C19H32BN3O4.C12H8BrN.ClH/c1-25(2,3)31-24(30)28-12-9-19(10-13-28)29-16-18(15-27-29)21-8-11-26-22-14-17-6-4-5-7-20(17)23(21)22;1-2-4-17-14(3-1)11-19-20(17)18(7-10-22-19)15-12-23-24(13-15)16-5-8-21-9-6-16;1-17(2,3)25-16(24)22-10-8-15(9-11-22)23-13-14(12-21-23)20-26-18(4,5)19(6,7)27-20;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;/h4-8,11,15-16,19H,9-10,12-14H2,1-3H3;1-4,7,10,12-13,16,21H,5-6,8-9,11H2;12-13,15H,8-11H2,1-7H3;1-6H,7H2;1H.

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

4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride has a molecular weight of 1392.79 g/mol, XLogP of 15.12, 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-[4-(9H-indeno[2,1-b]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride is sourced from PubChem (CID 159604906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).