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

C73H83BBrClN12O6S3 — CID 159069306

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

4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole;hydrochloride (PubChem CID 159069306) has the molecular formula C73H83BBrClN12O6S3 and a molecular weight of 1446.91 g/mol. Its IUPAC name is 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole;hydrochloride.

Molecular Properties

• Compound Name: 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole;hydrochloride
• PubChem CID: 159069306
• Molecular Formula: C73H83BBrClN12O6S3
• Molecular Weight: 1446.91 g/mol
• Exact Mass: 1444.47
• IUPAC Name: 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole;hydrochloride
• SMILES: Brc1ccnc2c1-c1ccccc1C2.CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc4c3-c3ccccc3C4)s2)CC1.CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1.Cl.c1ccc2c(c1)Cc1nccc(-c3cnc(N4CCNCC4)s3)c1-2
• InChI: InChI=1S/C24H26N4O2S.C19H18N4S.C18H30BN3O4S.C12H8BrN.ClH/c1-24(2,3)30-23(29)28-12-10-27(11-13-28)22-26-15-20(31-22)18-8-9-25-19-14-16-6-4-5-7-17(16)21(18)19;1-2-4-14-13(3-1)11-16-18(14)15(5-6-21-16)17-12-22-19(24-17)23-9-7-20-8-10-23;1-16(2,3)24-15(23)22-10-8-21(9-11-22)14-20-12-13(27-14)19-25-17(4,5)18(6,7)26-19;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;/h4-9,15H,10-14H2,1-3H3;1-6,12,20H,7-11H2;12H,8-11H2,1-7H3;1-6H,7H2;1H
• InChIKey: CDFAOBWOKNFEOQ-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 176.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1446.91
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

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-[5-(9H-indeno[2,1-b]pyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole;hydrochloride?

The IUPAC name of 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole;hydrochloride (CID 159069306) is 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole;hydrochloride.

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

The canonical SMILES for 4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole;hydrochloride is Brc1ccnc2c1-c1ccccc1C2.CC(C)(C)OC(=O)N1CCN(c2ncc(-c3ccnc4c3-c3ccccc3C4)s2)CC1.CC(C)(C)OC(=O)N1CCN(c2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1.Cl.c1ccc2c(c1)Cc1nccc(-c3cnc(N4CCNCC4)s3)c1-2.

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

The InChIKey is CDFAOBWOKNFEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S.C19H18N4S.C18H30BN3O4S.C12H8BrN.ClH/c1-24(2,3)30-23(29)28-12-10-27(11-13-28)22-26-15-20(31-22)18-8-9-25-19-14-16-6-4-5-7-17(16)21(18)19;1-2-4-14-13(3-1)11-16-18(14)15(5-6-21-16)17-12-22-19(24-17)23-9-7-20-8-10-23;1-16(2,3)24-15(23)22-10-8-21(9-11-22)14-20-12-13(27-14)19-25-17(4,5)18(6,7)26-19;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;/h4-9,15H,10-14H2,1-3H3;1-6,12,20H,7-11H2;12H,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-[5-(9H-indeno[2,1-b]pyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole;hydrochloride?

4-bromo-9H-indeno[2,1-b]pyridine;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole;hydrochloride has a molecular weight of 1446.91 g/mol, XLogP of 14.36, 6 rotatable bonds, 1 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 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;tert-butyl 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]piperazine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-piperazin-1-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 159069306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).