3-bromo-5H-cyclopenta[b]pyridine;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylpyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-ol;pentan-3-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate;pentan-3-yl carbonochloridate;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

C145H105BBr2ClN10O10S2-3 — CID 165073282

About 3-bromo-5H-cyclopenta[b]pyridine;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylpyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-ol;pentan-3-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate;pentan-3-yl carbonochloridate;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

3-bromo-5H-cyclopenta[b]pyridine;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylpyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-ol;pentan-3-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate;pentan-3-yl carbonochloridate;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (PubChem CID 165073282) has the molecular formula C145H105BBr2ClN10O10S2-3 and a molecular weight of 2417.70 g/mol. Its IUPAC name is 3-bromo-5H-cyclopenta[b]pyridine;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylpyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-ol;pentan-3-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate;pentan-3-yl carbonochloridate;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 3-bromo-5H-cyclopenta[b]pyridine;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylpyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-ol;pentan-3-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate;pentan-3-yl carbonochloridate;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
• PubChem CID: 165073282
• Molecular Formula: C145H105BBr2ClN10O10S2-3
• Molecular Weight: 2417.70 g/mol
• Exact Mass: 2413.56
• IUPAC Name: 3-bromo-5H-cyclopenta[b]pyridine;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylpyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-ol;pentan-3-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate;pentan-3-yl carbonochloridate;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
• SMILES: Brc1cnc2c(c1)CC=C2.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.CCC(CC)NC(=O)n1ccc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc21.CCC(CC)OC(=O)Cl.CCC(CC)OC(=O)n1ccc2ncc(Br)cc21.CCC(O)CC.[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-]
• InChI: InChI=1S/C24H25N5O2S.C24H6.C24H5.C24H4.C17H21BN2O3S.C13H15BrN2O2.C8H6BrN.C6H11ClO2.C5H12O/c1-3-17(4-2)26-24(31)29-10-9-18-20(29)11-16(13-25-18)15-7-8-19-21(12-15)32-23(27-19)28-22(30)14-5-6-14;3*1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;1-16(2)17(3,4)23-18(22-16)11-7-8-12-13(9-11)24-15(19-12)20-14(21)10-5-6-10;1-3-10(4-2)18-13(17)16-6-5-11-12(16)7-9(14)8-15-11;9-7-4-6-2-1-3-8(6)10-5-7;1-3-5(4-2)9-6(7)8;1-3-5(6)4-2/h7-14,17H,3-6H2,1-2H3,(H,26,31)(H,27,28,30);1-2H3;1H2,2H3;1-2H2;7-10H,5-6H2,1-4H3,(H,19,20,21);5-8,10H,3-4H2,1-2H3;1,3-5H,2H2;5H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3/q;;-1;-2
• InChIKey: TWRCAOQDXHQKHV-UHFFFAOYSA-N
• XLogP: 21.09
• TPSA: 252.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2417.70
LogP ≤ 5	21.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5H-cyclopenta[b]pyridine;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylpyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-ol;pentan-3-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate;pentan-3-yl carbonochloridate;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?

The IUPAC name of 3-bromo-5H-cyclopenta[b]pyridine;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylpyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-ol;pentan-3-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate;pentan-3-yl carbonochloridate;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide (CID 165073282) is 3-bromo-5H-cyclopenta[b]pyridine;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylpyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-ol;pentan-3-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate;pentan-3-yl carbonochloridate;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for 3-bromo-5H-cyclopenta[b]pyridine;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylpyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-ol;pentan-3-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate;pentan-3-yl carbonochloridate;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?

The canonical SMILES for 3-bromo-5H-cyclopenta[b]pyridine;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylpyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-ol;pentan-3-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate;pentan-3-yl carbonochloridate;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is Brc1cnc2c(c1)CC=C2.CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.CCC(CC)NC(=O)n1ccc2ncc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cc21.CCC(CC)OC(=O)Cl.CCC(CC)OC(=O)n1ccc2ncc(Br)cc21.CCC(O)CC.[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.[CH2-]C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-].

What is the InChIKey of 3-bromo-5H-cyclopenta[b]pyridine;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylpyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-ol;pentan-3-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate;pentan-3-yl carbonochloridate;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?

The InChIKey is TWRCAOQDXHQKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S.C24H6.C24H5.C24H4.C17H21BN2O3S.C13H15BrN2O2.C8H6BrN.C6H11ClO2.C5H12O/c1-3-17(4-2)26-24(31)29-10-9-18-20(29)11-16(13-25-18)15-7-8-19-21(12-15)32-23(27-19)28-22(30)14-5-6-14;3*1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2;1-16(2)17(3,4)23-18(22-16)11-7-8-12-13(9-11)24-15(19-12)20-14(21)10-5-6-10;1-3-10(4-2)18-13(17)16-6-5-11-12(16)7-9(14)8-15-11;9-7-4-6-2-1-3-8(6)10-5-7;1-3-5(4-2)9-6(7)8;1-3-5(6)4-2/h7-14,17H,3-6H2,1-2H3,(H,26,31)(H,27,28,30);1-2H3;1H2,2H3;1-2H2;7-10H,5-6H2,1-4H3,(H,19,20,21);5-8,10H,3-4H2,1-2H3;1,3-5H,2H2;5H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3/q;;-1;-2;;;;;.

What are the key properties of 3-bromo-5H-cyclopenta[b]pyridine;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylpyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-ol;pentan-3-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate;pentan-3-yl carbonochloridate;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide?

3-bromo-5H-cyclopenta[b]pyridine;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylpyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-ol;pentan-3-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate;pentan-3-yl carbonochloridate;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 2417.70 g/mol, XLogP of 21.09, 17 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5H-cyclopenta[b]pyridine;6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-N-pentan-3-ylpyrrolo[3,2-b]pyridine-1-carboxamide;pentan-3-ol;pentan-3-yl 6-bromopyrrolo[3,2-b]pyridine-1-carboxylate;pentan-3-yl carbonochloridate;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;tetracosa-2,4,6,8,10,12,14,16,18,20,22-undecayne;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 165073282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).