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

C79H95BBrClN12O6 — CID 159185766

About 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(3-methyl-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)-3-methylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride (PubChem CID 159185766) has the molecular formula C79H95BBrClN12O6 and a molecular weight of 1434.88 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)-3-methylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(3-methyl-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)-3-methylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride
• PubChem CID: 159185766
• Molecular Formula: C79H95BBrClN12O6
• Molecular Weight: 1434.88 g/mol
• Exact Mass: 1432.65
• IUPAC Name: 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride
• SMILES: Brc1ccnc2c1-c1ccccc1C2.Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc2c1-c1ccccc1C2.Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1.Cc1nn(C2CCNCC2)cc1-c1ccnc2c1-c1ccccc1C2.Cl
• InChI: InChI=1S/C26H30N4O2.C21H22N4.C20H34BN3O4.C12H8BrN.ClH/c1-17-22(21-9-12-27-23-15-18-7-5-6-8-20(18)24(21)23)16-30(28-17)19-10-13-29(14-11-19)25(31)32-26(2,3)4;1-14-19(13-25(24-14)16-6-9-22-10-7-16)18-8-11-23-20-12-15-4-2-3-5-17(15)21(18)20;1-14-16(21-27-19(5,6)20(7,8)28-21)13-24(22-14)15-9-11-23(12-10-15)17(25)26-18(2,3)4;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;/h5-9,12,16,19H,10-11,13-15H2,1-4H3;2-5,8,11,13,16,22H,6-7,9-10,12H2,1H3;13,15H,9-12H2,1-8H3;1-6H,7H2;1H
• InChIKey: NBUHJDSHABYQJM-UHFFFAOYSA-N
• XLogP: 16.05
• TPSA: 181.70 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	1434.88
LogP ≤ 5	16.05
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)-3-methylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(3-methyl-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)-3-methylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride (CID 159185766) is 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[4-(9H-indeno[2,1-b]pyridin-4-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(3-methyl-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)-3-methylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(3-methyl-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)-3-methylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride is Brc1ccnc2c1-c1ccccc1C2.Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccnc2c1-c1ccccc1C2.Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1.Cc1nn(C2CCNCC2)cc1-c1ccnc2c1-c1ccccc1C2.Cl.

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

The InChIKey is NBUHJDSHABYQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2.C21H22N4.C20H34BN3O4.C12H8BrN.ClH/c1-17-22(21-9-12-27-23-15-18-7-5-6-8-20(18)24(21)23)16-30(28-17)19-10-13-29(14-11-19)25(31)32-26(2,3)4;1-14-19(13-25(24-14)16-6-9-22-10-7-16)18-8-11-23-20-12-15-4-2-3-5-17(15)21(18)20;1-14-16(21-27-19(5,6)20(7,8)28-21)13-24(22-14)15-9-11-23(12-10-15)17(25)26-18(2,3)4;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;/h5-9,12,16,19H,10-11,13-15H2,1-4H3;2-5,8,11,13,16,22H,6-7,9-10,12H2,1H3;13,15H,9-12H2,1-8H3;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)-3-methylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(3-methyl-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)-3-methylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride has a molecular weight of 1434.88 g/mol, XLogP of 16.05, 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)-3-methylpyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]piperidine-1-carboxylate;4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-9H-indeno[2,1-b]pyridine;hydrochloride is sourced from PubChem (CID 159185766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).