6-bromo-N-cyclohexylpyrrolo[3,2-b]pyridine-1-carboxamide;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanamine;N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne

C135H86BBr2N13O6S2-2 — CID 165092624

About 6-bromo-N-cyclohexylpyrrolo[3,2-b]pyridine-1-carboxamide;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanamine;N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne

6-bromo-N-cyclohexylpyrrolo[3,2-b]pyridine-1-carboxamide;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanamine;N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne (PubChem CID 165092624) has the molecular formula C135H86BBr2N13O6S2-2 and a molecular weight of 2221.01 g/mol. Its IUPAC name is 6-bromo-N-cyclohexylpyrrolo[3,2-b]pyridine-1-carboxamide;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanamine;N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne.

Molecular Properties

• Compound Name: 6-bromo-N-cyclohexylpyrrolo[3,2-b]pyridine-1-carboxamide;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanamine;N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne
• PubChem CID: 165092624
• Molecular Formula: C135H86BBr2N13O6S2-2
• Molecular Weight: 2221.01 g/mol
• Exact Mass: 2217.47
• IUPAC Name: 6-bromo-N-cyclohexylpyrrolo[3,2-b]pyridine-1-carboxamide;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanamine;N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne
• SMILES: Brc1cnc2cc[nH]c2c1.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.NC1CCCCC1.O=C(NC1CCCCC1)n1ccc2ncc(Br)cc21.O=C(Nc1nc2ccc(-c3cnc4ccn(C(=O)NC5CCCCC5)c4c3)cc2s1)C1CC1.[C-]#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-]
• InChI: InChI=1S/C33H4.C33H2.C25H25N5O2S.C17H21BN2O3S.C14H16BrN3O.C7H5BrN2.C6H13N/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;31-23(15-6-7-15)29-24-28-20-9-8-16(13-22(20)33-24)17-12-21-19(26-14-17)10-11-30(21)25(32)27-18-4-2-1-3-5-18;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;15-10-8-13-12(16-9-10)6-7-18(13)14(19)17-11-4-2-1-3-5-11;8-5-3-7-6(10-4-5)1-2-9-7;7-6-4-2-1-3-5-6/h1H,2H3;1H2;8-15,18H,1-7H2,(H,27,32)(H,28,29,31);7-10H,5-6H2,1-4H3,(H,19,20,21);6-9,11H,1-5H2,(H,17,19);1-4,9H;6H,1-5,7H2/q;-2
• InChIKey: WYUDBIVQRZGFSH-UHFFFAOYSA-N
• XLogP: 16.94
• TPSA: 250.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2221.01
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'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 6-bromo-N-cyclohexylpyrrolo[3,2-b]pyridine-1-carboxamide;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanamine;N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne?

The IUPAC name of 6-bromo-N-cyclohexylpyrrolo[3,2-b]pyridine-1-carboxamide;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanamine;N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne (CID 165092624) is 6-bromo-N-cyclohexylpyrrolo[3,2-b]pyridine-1-carboxamide;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanamine;N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne.

What is the SMILES notation for 6-bromo-N-cyclohexylpyrrolo[3,2-b]pyridine-1-carboxamide;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanamine;N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne?

The canonical SMILES for 6-bromo-N-cyclohexylpyrrolo[3,2-b]pyridine-1-carboxamide;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanamine;N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne is Brc1cnc2cc[nH]c2c1.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC.CC1(C)OB(c2ccc3nc(NC(=O)C4CC4)sc3c2)OC1(C)C.NC1CCCCC1.O=C(NC1CCCCC1)n1ccc2ncc(Br)cc21.O=C(Nc1nc2ccc(-c3cnc4ccn(C(=O)NC5CCCCC5)c4c3)cc2s1)C1CC1.[C-]#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C[CH2-].

What is the InChIKey of 6-bromo-N-cyclohexylpyrrolo[3,2-b]pyridine-1-carboxamide;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanamine;N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne?

The InChIKey is WYUDBIVQRZGFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H4.C33H2.C25H25N5O2S.C17H21BN2O3S.C14H16BrN3O.C7H5BrN2.C6H13N/c2*1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;31-23(15-6-7-15)29-24-28-20-9-8-16(13-22(20)33-24)17-12-21-19(26-14-17)10-11-30(21)25(32)27-18-4-2-1-3-5-18;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;15-10-8-13-12(16-9-10)6-7-18(13)14(19)17-11-4-2-1-3-5-11;8-5-3-7-6(10-4-5)1-2-9-7;7-6-4-2-1-3-5-6/h1H,2H3;1H2;8-15,18H,1-7H2,(H,27,32)(H,28,29,31);7-10H,5-6H2,1-4H3,(H,19,20,21);6-9,11H,1-5H2,(H,17,19);1-4,9H;6H,1-5,7H2/q;-2;;;;;.

What are the key properties of 6-bromo-N-cyclohexylpyrrolo[3,2-b]pyridine-1-carboxamide;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanamine;N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne?

6-bromo-N-cyclohexylpyrrolo[3,2-b]pyridine-1-carboxamide;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanamine;N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne has a molecular weight of 2221.01 g/mol, XLogP of 16.94, 8 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-cyclohexylpyrrolo[3,2-b]pyridine-1-carboxamide;6-bromo-1H-pyrrolo[3,2-b]pyridine;cyclohexanamine;N-cyclohexyl-6-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]pyrrolo[3,2-b]pyridine-1-carboxamide;N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne;tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecayne is sourced from PubChem (CID 165092624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).