bis(4-(4-bromo-3-methoxyphenyl)-1-methyltriazole);7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-ethynyl-3-methoxybenzene;4-(3-methoxyphenyl)-1-methyltriazole;4-(3-methoxyphenyl)-2H-triazole

C104H102BBr2N23O10 — CID 162199371

About bis(4-(4-bromo-3-methoxyphenyl)-1-methyltriazole);7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-ethynyl-3-methoxybenzene;4-(3-methoxyphenyl)-1-methyltriazole;4-(3-methoxyphenyl)-2H-triazole

bis(4-(4-bromo-3-methoxyphenyl)-1-methyltriazole);7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-ethynyl-3-methoxybenzene;4-(3-methoxyphenyl)-1-methyltriazole;4-(3-methoxyphenyl)-2H-triazole (PubChem CID 162199371) has the molecular formula C104H102BBr2N23O10 and a molecular weight of 2004.73 g/mol. Its IUPAC name is bis(4-(4-bromo-3-methoxyphenyl)-1-methyltriazole);7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-ethynyl-3-methoxybenzene;4-(3-methoxyphenyl)-1-methyltriazole;4-(3-methoxyphenyl)-2H-triazole.

Molecular Properties

• Compound Name: bis(4-(4-bromo-3-methoxyphenyl)-1-methyltriazole);7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-ethynyl-3-methoxybenzene;4-(3-methoxyphenyl)-1-methyltriazole;4-(3-methoxyphenyl)-2H-triazole
• PubChem CID: 162199371
• Molecular Formula: C104H102BBr2N23O10
• Molecular Weight: 2004.73 g/mol
• Exact Mass: 2001.66
• IUPAC Name: bis(4-(4-bromo-3-methoxyphenyl)-1-methyltriazole);7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-ethynyl-3-methoxybenzene;4-(3-methoxyphenyl)-1-methyltriazole;4-(3-methoxyphenyl)-2H-triazole
• SMILES: C#Cc1cccc(OC)c1.CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4cn(C)nn4)cc3OC)cc12.CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.COc1cc(-c2cn(C)nn2)ccc1Br.COc1cc(-c2cn(C)nn2)ccc1Br.COc1cccc(-c2cn(C)nn2)c1.COc1cccc(-c2cn[nH]n2)c1
• InChI: InChI=1S/C33H31N7O2.C23H23BN4O3.2C10H10BrN3O.C10H11N3O.C9H9N3O.C9H8O/c1-34-33(41)27-18-35-32(40(19-22-10-6-4-7-11-22)20-23-12-8-5-9-13-23)31-26(27)17-28(36-31)25-15-14-24(16-30(25)42-3)29-21-39(2)38-37-29;1-25-23(29)19-13-26-22(21-18(19)12-20(27-21)24(30)31)28(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;2*1-14-6-9(12-13-14)7-3-4-8(11)10(5-7)15-2;1-13-7-10(11-12-13)8-4-3-5-9(6-8)14-2;1-13-8-4-2-3-7(5-8)9-6-10-12-11-9;1-3-8-5-4-6-9(7-8)10-2/h4-18,21,36H,19-20H2,1-3H3,(H,34,41);2-13,27,30-31H,14-15H2,1H3,(H,25,29);2*3-6H,1-2H3;3-7H,1-2H3;2-6H,1H3,(H,10,11,12);1,4-7H,2H3
• InChIKey: ZRJLBMFIOCIHLB-UHFFFAOYSA-N
• XLogP: 16.56
• TPSA: 382.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2004.73
LogP ≤ 5	16.56
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(4-(4-bromo-3-methoxyphenyl)-1-methyltriazole);7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-ethynyl-3-methoxybenzene;4-(3-methoxyphenyl)-1-methyltriazole;4-(3-methoxyphenyl)-2H-triazole?

The IUPAC name of bis(4-(4-bromo-3-methoxyphenyl)-1-methyltriazole);7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-ethynyl-3-methoxybenzene;4-(3-methoxyphenyl)-1-methyltriazole;4-(3-methoxyphenyl)-2H-triazole (CID 162199371) is bis(4-(4-bromo-3-methoxyphenyl)-1-methyltriazole);7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-ethynyl-3-methoxybenzene;4-(3-methoxyphenyl)-1-methyltriazole;4-(3-methoxyphenyl)-2H-triazole.

What is the SMILES notation for bis(4-(4-bromo-3-methoxyphenyl)-1-methyltriazole);7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-ethynyl-3-methoxybenzene;4-(3-methoxyphenyl)-1-methyltriazole;4-(3-methoxyphenyl)-2H-triazole?

The canonical SMILES for bis(4-(4-bromo-3-methoxyphenyl)-1-methyltriazole);7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-ethynyl-3-methoxybenzene;4-(3-methoxyphenyl)-1-methyltriazole;4-(3-methoxyphenyl)-2H-triazole is C#Cc1cccc(OC)c1.CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccc(-c4cn(C)nn4)cc3OC)cc12.CNC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(B(O)O)cc12.COc1cc(-c2cn(C)nn2)ccc1Br.COc1cc(-c2cn(C)nn2)ccc1Br.COc1cccc(-c2cn(C)nn2)c1.COc1cccc(-c2cn[nH]n2)c1.

What is the InChIKey of bis(4-(4-bromo-3-methoxyphenyl)-1-methyltriazole);7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-ethynyl-3-methoxybenzene;4-(3-methoxyphenyl)-1-methyltriazole;4-(3-methoxyphenyl)-2H-triazole?

The InChIKey is ZRJLBMFIOCIHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N7O2.C23H23BN4O3.2C10H10BrN3O.C10H11N3O.C9H9N3O.C9H8O/c1-34-33(41)27-18-35-32(40(19-22-10-6-4-7-11-22)20-23-12-8-5-9-13-23)31-26(27)17-28(36-31)25-15-14-24(16-30(25)42-3)29-21-39(2)38-37-29;1-25-23(29)19-13-26-22(21-18(19)12-20(27-21)24(30)31)28(14-16-8-4-2-5-9-16)15-17-10-6-3-7-11-17;2*1-14-6-9(12-13-14)7-3-4-8(11)10(5-7)15-2;1-13-7-10(11-12-13)8-4-3-5-9(6-8)14-2;1-13-8-4-2-3-7(5-8)9-6-10-12-11-9;1-3-8-5-4-6-9(7-8)10-2/h4-18,21,36H,19-20H2,1-3H3,(H,34,41);2-13,27,30-31H,14-15H2,1H3,(H,25,29);2*3-6H,1-2H3;3-7H,1-2H3;2-6H,1H3,(H,10,11,12);1,4-7H,2H3.

What are the key properties of bis(4-(4-bromo-3-methoxyphenyl)-1-methyltriazole);7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-ethynyl-3-methoxybenzene;4-(3-methoxyphenyl)-1-methyltriazole;4-(3-methoxyphenyl)-2H-triazole?

bis(4-(4-bromo-3-methoxyphenyl)-1-methyltriazole);7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-ethynyl-3-methoxybenzene;4-(3-methoxyphenyl)-1-methyltriazole;4-(3-methoxyphenyl)-2H-triazole has a molecular weight of 2004.73 g/mol, XLogP of 16.56, 25 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-(4-bromo-3-methoxyphenyl)-1-methyltriazole);7-(dibenzylamino)-2-[2-methoxy-4-(1-methyltriazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;[7-(dibenzylamino)-4-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-ethynyl-3-methoxybenzene;4-(3-methoxyphenyl)-1-methyltriazole;4-(3-methoxyphenyl)-2H-triazole is sourced from PubChem (CID 162199371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).