3-bromo-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridine;iodomethane;methane;tributyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]stannane

C116H136BrIN20O14S2Sn — CID 158329289

About 3-bromo-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridine;iodomethane;methane;tributyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]stannane

3-bromo-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridine;iodomethane;methane;tributyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]stannane (PubChem CID 158329289) has the molecular formula C116H136BrIN20O14S2Sn and a molecular weight of 2424.14 g/mol. Its IUPAC name is 3-bromo-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridine;iodomethane;methane;tributyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]stannane.

Molecular Properties

• Compound Name: 3-bromo-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridine;iodomethane;methane;tributyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]stannane
• PubChem CID: 158329289
• Molecular Formula: C116H136BrIN20O14S2Sn
• Molecular Weight: 2424.14 g/mol
• Exact Mass: 2422.72
• IUPAC Name: 3-bromo-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridine;iodomethane;methane;tributyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]stannane
• SMILES: C.C.C.CCCC[Sn](CCCC)(CCCC)c1cc2cccnc2n1S(=O)(=O)c1ccc(C)cc1.CI.COc1cc2[nH]cc(-c3cc4cccnc4n3C)c2nc1OC.COc1cc2c(nc1OC)c(-c1cc3cccnc3[nH]1)cn2C.COc1cc2c(nc1OC)c(-c1cc3cccnc3n1C)cn2C.COc1cc2c(nc1OC)c(-c1cc3cccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C.COc1cc2c(nc1OC)c(Br)cn2C
• InChI: InChI=1S/C24H22N4O4S.C18H18N4O2.2C17H16N4O2.C14H11N2O2S.C10H11BrN2O2.3C4H9.CH3I.3CH4.Sn/c1-15-7-9-17(10-8-15)33(29,30)28-19(12-16-6-5-11-25-23(16)28)18-14-27(2)20-13-21(31-3)24(32-4)26-22(18)20;1-21-10-12(13-8-11-6-5-7-19-17(11)22(13)2)16-14(21)9-15(23-3)18(20-16)24-4;1-21-13(7-10-5-4-6-18-16(10)21)11-9-19-12-8-14(22-2)17(23-3)20-15(11)12;1-21-9-11(12-7-10-5-4-6-18-16(10)19-12)15-13(21)8-14(22-2)17(20-15)23-3;1-11-4-6-13(7-5-11)19(17,18)16-10-8-12-3-2-9-15-14(12)16;1-13-5-6(11)9-7(13)4-8(14-2)10(12-9)15-3;3*1-3-4-2;1-2;;;;/h5-14H,1-4H3;5-10H,1-4H3;4-9,19H,1-3H3;4-9H,1-3H3,(H,18,19);2-9H,1H3;4-5H,1-3H3;3*1,3-4H2,2H3;1H3;3*1H4
• InChIKey: GPUOUKFNDRVLSZ-UHFFFAOYSA-N
• XLogP: 25.51
• TPSA: 360.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 28
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2424.14
LogP ≤ 5	25.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridine;iodomethane;methane;tributyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]stannane?

The IUPAC name of 3-bromo-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridine;iodomethane;methane;tributyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]stannane (CID 158329289) is 3-bromo-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridine;iodomethane;methane;tributyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]stannane.

What is the SMILES notation for 3-bromo-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridine;iodomethane;methane;tributyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]stannane?

The canonical SMILES for 3-bromo-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridine;iodomethane;methane;tributyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]stannane is C.C.C.CCCC[Sn](CCCC)(CCCC)c1cc2cccnc2n1S(=O)(=O)c1ccc(C)cc1.CI.COc1cc2[nH]cc(-c3cc4cccnc4n3C)c2nc1OC.COc1cc2c(nc1OC)c(-c1cc3cccnc3[nH]1)cn2C.COc1cc2c(nc1OC)c(-c1cc3cccnc3n1C)cn2C.COc1cc2c(nc1OC)c(-c1cc3cccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C.COc1cc2c(nc1OC)c(Br)cn2C.

What is the InChIKey of 3-bromo-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridine;iodomethane;methane;tributyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]stannane?

The InChIKey is GPUOUKFNDRVLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S.C18H18N4O2.2C17H16N4O2.C14H11N2O2S.C10H11BrN2O2.3C4H9.CH3I.3CH4.Sn/c1-15-7-9-17(10-8-15)33(29,30)28-19(12-16-6-5-11-25-23(16)28)18-14-27(2)20-13-21(31-3)24(32-4)26-22(18)20;1-21-10-12(13-8-11-6-5-7-19-17(11)22(13)2)16-14(21)9-15(23-3)18(20-16)24-4;1-21-13(7-10-5-4-6-18-16(10)21)11-9-19-12-8-14(22-2)17(23-3)20-15(11)12;1-21-9-11(12-7-10-5-4-6-18-16(10)19-12)15-13(21)8-14(22-2)17(20-15)23-3;1-11-4-6-13(7-5-11)19(17,18)16-10-8-12-3-2-9-15-14(12)16;1-13-5-6(11)9-7(13)4-8(14-2)10(12-9)15-3;3*1-3-4-2;1-2;;;;/h5-14H,1-4H3;5-10H,1-4H3;4-9,19H,1-3H3;4-9H,1-3H3,(H,18,19);2-9H,1H3;4-5H,1-3H3;3*1,3-4H2,2H3;1H3;3*1H4;.

What are the key properties of 3-bromo-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridine;iodomethane;methane;tributyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]stannane?

3-bromo-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridine;iodomethane;methane;tributyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]stannane has a molecular weight of 2424.14 g/mol, XLogP of 25.51, 28 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolo[3,2-b]pyridine;5,6-dimethoxy-3-(1-methylpyrrolo[2,3-b]pyridin-2-yl)-1H-pyrrolo[3,2-b]pyridine;iodomethane;methane;tributyl-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]stannane is sourced from PubChem (CID 158329289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).