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

C94H105BBr3N13O6S4 — CID 159591490

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

4-bromo-9H-indeno[2,1-b]pyridine;4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazole;4-bromo-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazol-4-yl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-4-piperazin-1-yl-1,3-thiazole;methane (PubChem CID 159591490) has the molecular formula C94H105BBr3N13O6S4 and a molecular weight of 1891.75 g/mol. Its IUPAC name is 4-bromo-9H-indeno[2,1-b]pyridine;4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazole;4-bromo-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazol-4-yl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-4-piperazin-1-yl-1,3-thiazole;methane.

Molecular Properties

• Compound Name: 4-bromo-9H-indeno[2,1-b]pyridine;4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazole;4-bromo-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazol-4-yl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-4-piperazin-1-yl-1,3-thiazole;methane
• PubChem CID: 159591490
• Molecular Formula: C94H105BBr3N13O6S4
• Molecular Weight: 1891.75 g/mol
• Exact Mass: 1887.48
• IUPAC Name: 4-bromo-9H-indeno[2,1-b]pyridine;4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazole;4-bromo-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazol-4-yl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-4-piperazin-1-yl-1,3-thiazole;methane
• SMILES: Brc1ccnc2c1-c1ccccc1C2.C.CC(C)(C)OC(=O)N1CCCCC1.Cc1nc(Br)c(-c2ccnc3c2-c2ccccc2C3)s1.Cc1nc(Br)c(B2OC(C)(C)C(C)(C)O2)s1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc3c2-c2ccccc2C3)s1.Cc1nc(N2CCNCC2)c(-c2ccnc3c2-c2ccccc2C3)s1
• InChI: InChI=1S/C25H28N4O2S.C20H20N4S.C16H11BrN2S.C12H8BrN.C10H15BBrNO2S.C10H19NO2.CH4/c1-16-27-23(28-11-13-29(14-12-28)24(30)31-25(2,3)4)22(32-16)19-9-10-26-20-15-17-7-5-6-8-18(17)21(19)20;1-13-23-20(24-10-8-21-9-11-24)19(25-13)16-6-7-22-17-12-14-4-2-3-5-15(14)18(16)17;1-9-19-16(17)15(20-9)12-6-7-18-13-8-10-4-2-3-5-11(10)14(12)13;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;1-6-13-8(12)7(16-6)11-14-9(2,3)10(4,5)15-11;1-10(2,3)13-9(12)11-7-5-4-6-8-11;/h5-10H,11-15H2,1-4H3;2-7,21H,8-12H2,1H3;2-7H,8H2,1H3;1-6H,7H2;1-5H3;4-8H2,1-3H3;1H4
• InChIKey: MKHKLVMAZPKLAL-UHFFFAOYSA-N
• XLogP: 22.46
• TPSA: 199.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 6
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1891.75
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

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

The IUPAC name of 4-bromo-9H-indeno[2,1-b]pyridine;4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazole;4-bromo-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazol-4-yl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-4-piperazin-1-yl-1,3-thiazole;methane (CID 159591490) is 4-bromo-9H-indeno[2,1-b]pyridine;4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazole;4-bromo-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazol-4-yl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-4-piperazin-1-yl-1,3-thiazole;methane.

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

The canonical SMILES for 4-bromo-9H-indeno[2,1-b]pyridine;4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazole;4-bromo-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazol-4-yl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-4-piperazin-1-yl-1,3-thiazole;methane is Brc1ccnc2c1-c1ccccc1C2.C.CC(C)(C)OC(=O)N1CCCCC1.Cc1nc(Br)c(-c2ccnc3c2-c2ccccc2C3)s1.Cc1nc(Br)c(B2OC(C)(C)C(C)(C)O2)s1.Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)c(-c2ccnc3c2-c2ccccc2C3)s1.Cc1nc(N2CCNCC2)c(-c2ccnc3c2-c2ccccc2C3)s1.

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

The InChIKey is MKHKLVMAZPKLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S.C20H20N4S.C16H11BrN2S.C12H8BrN.C10H15BBrNO2S.C10H19NO2.CH4/c1-16-27-23(28-11-13-29(14-12-28)24(30)31-25(2,3)4)22(32-16)19-9-10-26-20-15-17-7-5-6-8-18(17)21(19)20;1-13-23-20(24-10-8-21-9-11-24)19(25-13)16-6-7-22-17-12-14-4-2-3-5-15(14)18(16)17;1-9-19-16(17)15(20-9)12-6-7-18-13-8-10-4-2-3-5-11(10)14(12)13;13-10-5-6-14-11-7-8-3-1-2-4-9(8)12(10)11;1-6-13-8(12)7(16-6)11-14-9(2,3)10(4,5)15-11;1-10(2,3)13-9(12)11-7-5-4-6-8-11;/h5-10H,11-15H2,1-4H3;2-7,21H,8-12H2,1H3;2-7H,8H2,1H3;1-6H,7H2;1-5H3;4-8H2,1-3H3;1H4.

What are the key properties of 4-bromo-9H-indeno[2,1-b]pyridine;4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazole;4-bromo-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazol-4-yl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-4-piperazin-1-yl-1,3-thiazole;methane?

4-bromo-9H-indeno[2,1-b]pyridine;4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazole;4-bromo-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazol-4-yl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-4-piperazin-1-yl-1,3-thiazole;methane has a molecular weight of 1891.75 g/mol, XLogP of 22.46, 6 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-9H-indeno[2,1-b]pyridine;4-bromo-5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazole;4-bromo-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazole;tert-butyl 4-[5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-1,3-thiazol-4-yl]piperazine-1-carboxylate;tert-butyl piperidine-1-carboxylate;5-(9H-indeno[2,1-b]pyridin-4-yl)-2-methyl-4-piperazin-1-yl-1,3-thiazole;methane is sourced from PubChem (CID 159591490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).