5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methyl 3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 3-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;bis(tri(propan-2-yl)silane)

C91H111BrF6N13O17S3Si2+ — CID 158181987

About 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methyl 3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 3-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;bis(tri(propan-2-yl)silane)

5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methyl 3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 3-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;bis(tri(propan-2-yl)silane) (PubChem CID 158181987) has the molecular formula C91H111BrF6N13O17S3Si2+ and a molecular weight of 2005.23 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methyl 3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 3-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;bis(tri(propan-2-yl)silane).

Molecular Properties

• Compound Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methyl 3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 3-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;bis(tri(propan-2-yl)silane)
• PubChem CID: 158181987
• Molecular Formula: C91H111BrF6N13O17S3Si2+
• Molecular Weight: 2005.23 g/mol
• Exact Mass: 2002.60
• IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methyl 3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 3-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;bis(tri(propan-2-yl)silane)
• SMILES: Brc1cnc2[nH]ccc2c1.CC(C)[SiH](C(C)C)C(C)C.CC(C)[SiH](C(C)C)C(C)C.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(C(=O)OC)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(C(=O)OC)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F.COC(=O)c1cnc2[nH]ccc2c1.COC(=O)c1cnc2c(c1)C=[C+]N2
• InChI: InChI=1S/C19H19F2N3O5S.C19H17F2N3O5S.C10H11F2NO3S.C9H8N2O2.C9H6N2O2.2C9H22Si.C7H5BrN2/c2*1-3-6-30(27,28)24-14-5-4-13(20)15(16(14)21)17(25)12-9-23-18-11(12)7-10(8-22-18)19(26)29-2;1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12;2*1-13-9(12)7-4-6-2-3-10-8(6)11-5-7;2*1-7(2)10(8(3)4)9(5)6;8-6-3-5-1-2-9-7(5)10-4-6/h4-5,7-9,17,24-25H,3,6H2,1-2H3,(H,22,23);4-5,7-9,24H,3,6H2,1-2H3,(H,22,23);3-4,6,13H,2,5H2,1H3;2-5H,1H3,(H,10,11);2,4-5H,1H3;2*7-10H,1-6H3;1-4H,(H,9,10)/p+1
• InChIKey: FYRYGXHYCPVKFG-UHFFFAOYSA-O
• XLogP: 19.43
• TPSA: 437.72 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2005.23
LogP ≤ 5	19.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methyl 3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 3-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;bis(tri(propan-2-yl)silane)?

The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methyl 3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 3-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;bis(tri(propan-2-yl)silane) (CID 158181987) is 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methyl 3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 3-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;bis(tri(propan-2-yl)silane).

What is the SMILES notation for 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methyl 3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 3-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;bis(tri(propan-2-yl)silane)?

The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methyl 3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 3-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;bis(tri(propan-2-yl)silane) is Brc1cnc2[nH]ccc2c1.CC(C)[SiH](C(C)C)C(C)C.CC(C)[SiH](C(C)C)C(C)C.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(C(=O)OC)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(C(=O)OC)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F.COC(=O)c1cnc2[nH]ccc2c1.COC(=O)c1cnc2c(c1)C=[C+]N2.

What is the InChIKey of 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methyl 3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 3-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;bis(tri(propan-2-yl)silane)?

The InChIKey is FYRYGXHYCPVKFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19F2N3O5S.C19H17F2N3O5S.C10H11F2NO3S.C9H8N2O2.C9H6N2O2.2C9H22Si.C7H5BrN2/c2*1-3-6-30(27,28)24-14-5-4-13(20)15(16(14)21)17(25)12-9-23-18-11(12)7-10(8-22-18)19(26)29-2;1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12;2*1-13-9(12)7-4-6-2-3-10-8(6)11-5-7;2*1-7(2)10(8(3)4)9(5)6;8-6-3-5-1-2-9-7(5)10-4-6/h4-5,7-9,17,24-25H,3,6H2,1-2H3,(H,22,23);4-5,7-9,24H,3,6H2,1-2H3,(H,22,23);3-4,6,13H,2,5H2,1H3;2-5H,1H3,(H,10,11);2,4-5H,1H3;2*7-10H,1-6H3;1-4H,(H,9,10)/p+1.

What are the key properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methyl 3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 3-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;bis(tri(propan-2-yl)silane)?

5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methyl 3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 3-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;bis(tri(propan-2-yl)silane) has a molecular weight of 2005.23 g/mol, XLogP of 19.43, 27 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-pyrrolo[2,3-b]pyridine;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methyl 3-[2,6-difluoro-3-(propylsulfonylamino)benzoyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 3-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]-hydroxymethyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate;methyl 1,2-dihydropyrrolo[2,3-b]pyridin-2-ylium-5-carboxylate;methyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;bis(tri(propan-2-yl)silane) is sourced from PubChem (CID 158181987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).