5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;tert-butyl 5-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(chloromethyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[(dimethylamino)methyl]-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol

C105H107Br3ClN17O8S4 — CID 161150612

About 5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;tert-butyl 5-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(chloromethyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[(dimethylamino)methyl]-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol

5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;tert-butyl 5-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(chloromethyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[(dimethylamino)methyl]-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol (PubChem CID 161150612) has the molecular formula C105H107Br3ClN17O8S4 and a molecular weight of 2138.55 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;tert-butyl 5-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(chloromethyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[(dimethylamino)methyl]-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol.

Molecular Properties

• Compound Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;tert-butyl 5-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(chloromethyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[(dimethylamino)methyl]-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol
• PubChem CID: 161150612
• Molecular Formula: C105H107Br3ClN17O8S4
• Molecular Weight: 2138.55 g/mol
• Exact Mass: 2133.46
• IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;tert-butyl 5-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(chloromethyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[(dimethylamino)methyl]-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol
• SMILES: Brc1cnc2[nH]ccc2c1.CC(C)(C)OC(=O)n1cc(CCl)c2cc(-c3ccsc3)cnc21.CN(C)Cc1c[nH]c2ncc(Br)cc12.CN(C)Cc1cn(C(=O)OC(C)(C)C)c2ncc(-c3ccsc3)cc12.CN(C)Cc1cn(C(=O)OC(C)(C)C)c2ncc(Br)cc12.COc1cccc(Cc2c[nH]c3ncc(-c4ccsc4)cc23)c1.Oc1cccc(Cc2c[nH]c3ncc(-c4ccsc4)cc23)c1
• InChI: InChI=1S/C19H23N3O2S.C19H16N2OS.C18H14N2OS.C17H17ClN2O2S.C15H20BrN3O2.C10H12BrN3.C7H5BrN2/c1-19(2,3)24-18(23)22-11-15(10-21(4)5)16-8-14(9-20-17(16)22)13-6-7-25-12-13;1-22-17-4-2-3-13(8-17)7-16-11-21-19-18(16)9-15(10-20-19)14-5-6-23-12-14;21-16-3-1-2-12(7-16)6-15-10-20-18-17(15)8-14(9-19-18)13-4-5-22-11-13;1-17(2,3)22-16(21)20-9-13(7-18)14-6-12(8-19-15(14)20)11-4-5-23-10-11;1-15(2,3)21-14(20)19-9-10(8-18(4)5)12-6-11(16)7-17-13(12)19;1-14(2)6-7-4-12-10-9(7)3-8(11)5-13-10;8-6-3-5-1-2-9-7(5)10-4-6/h6-9,11-12H,10H2,1-5H3;2-6,8-12H,7H2,1H3,(H,20,21);1-5,7-11,21H,6H2,(H,19,20);4-6,8-10H,7H2,1-3H3;6-7,9H,8H2,1-5H3;3-5H,6H2,1-2H3,(H,12,13);1-4H,(H,9,10)
• InChIKey: UOPYCTYNDZYROV-UHFFFAOYSA-N
• XLogP: 27.73
• TPSA: 286.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2138.55
LogP ≤ 5	27.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;tert-butyl 5-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(chloromethyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[(dimethylamino)methyl]-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?

The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;tert-butyl 5-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(chloromethyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[(dimethylamino)methyl]-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol (CID 161150612) is 5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;tert-butyl 5-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(chloromethyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[(dimethylamino)methyl]-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol.

What is the SMILES notation for 5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;tert-butyl 5-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(chloromethyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[(dimethylamino)methyl]-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?

The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;tert-butyl 5-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(chloromethyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[(dimethylamino)methyl]-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol is Brc1cnc2[nH]ccc2c1.CC(C)(C)OC(=O)n1cc(CCl)c2cc(-c3ccsc3)cnc21.CN(C)Cc1c[nH]c2ncc(Br)cc12.CN(C)Cc1cn(C(=O)OC(C)(C)C)c2ncc(-c3ccsc3)cc12.CN(C)Cc1cn(C(=O)OC(C)(C)C)c2ncc(Br)cc12.COc1cccc(Cc2c[nH]c3ncc(-c4ccsc4)cc23)c1.Oc1cccc(Cc2c[nH]c3ncc(-c4ccsc4)cc23)c1.

What is the InChIKey of 5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;tert-butyl 5-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(chloromethyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[(dimethylamino)methyl]-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?

The InChIKey is UOPYCTYNDZYROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S.C19H16N2OS.C18H14N2OS.C17H17ClN2O2S.C15H20BrN3O2.C10H12BrN3.C7H5BrN2/c1-19(2,3)24-18(23)22-11-15(10-21(4)5)16-8-14(9-20-17(16)22)13-6-7-25-12-13;1-22-17-4-2-3-13(8-17)7-16-11-21-19-18(16)9-15(10-20-19)14-5-6-23-12-14;21-16-3-1-2-12(7-16)6-15-10-20-18-17(15)8-14(9-19-18)13-4-5-22-11-13;1-17(2,3)22-16(21)20-9-13(7-18)14-6-12(8-19-15(14)20)11-4-5-23-10-11;1-15(2,3)21-14(20)19-9-10(8-18(4)5)12-6-11(16)7-17-13(12)19;1-14(2)6-7-4-12-10-9(7)3-8(11)5-13-10;8-6-3-5-1-2-9-7(5)10-4-6/h6-9,11-12H,10H2,1-5H3;2-6,8-12H,7H2,1H3,(H,20,21);1-5,7-11,21H,6H2,(H,19,20);4-6,8-10H,7H2,1-3H3;6-7,9H,8H2,1-5H3;3-5H,6H2,1-2H3,(H,12,13);1-4H,(H,9,10).

What are the key properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;tert-butyl 5-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(chloromethyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[(dimethylamino)methyl]-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol?

5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;tert-butyl 5-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(chloromethyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[(dimethylamino)methyl]-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol has a molecular weight of 2138.55 g/mol, XLogP of 27.73, 16 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-pyrrolo[2,3-b]pyridine;1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;tert-butyl 5-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(chloromethyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-[(dimethylamino)methyl]-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-[(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol is sourced from PubChem (CID 161150612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).