N-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine

C120H149Br2F6N19O9S3Si2 — CID 157459886

About N-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine

N-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine (PubChem CID 157459886) has the molecular formula C120H149Br2F6N19O9S3Si2 and a molecular weight of 2427.80 g/mol. Its IUPAC name is N-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

• Compound Name: N-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine
• PubChem CID: 157459886
• Molecular Formula: C120H149Br2F6N19O9S3Si2
• Molecular Weight: 2427.80 g/mol
• Exact Mass: 2423.88
• IUPAC Name: N-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine
• SMILES: Brc1cnc2[nH]ccc2c1.C.C.C.C.C.C.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Nc3ccccc3)cnc21.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Nc4ccccc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(Nc4ccccc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F.c1ccc(Nc2cnc3[nH]ccc3c2)cc1
• InChI: InChI=1S/C23H22F2N4O3S.C23H20F2N4O3S.C22H31N3Si.C16H25BrN2Si.C13H11N3.C10H11F2NO3S.C7H5BrN2.6CH4/c2*1-2-10-33(31,32)29-19-9-8-18(24)20(21(19)25)22(30)17-13-27-23-16(17)11-15(12-26-23)28-14-6-4-3-5-7-14;1-16(2)26(17(3)4,18(5)6)25-13-12-19-14-21(15-23-22(19)25)24-20-10-8-7-9-11-20;1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;1-2-4-11(5-3-1)16-12-8-10-6-7-14-13(10)15-9-12;1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12;8-6-3-5-1-2-9-7(5)10-4-6;;;;;;/h3-9,11-13,22,28-30H,2,10H2,1H3,(H,26,27);3-9,11-13,28-29H,2,10H2,1H3,(H,26,27);7-18,24H,1-6H3;7-13H,1-6H3;1-9,16H,(H,14,15);3-4,6,13H,2,5H2,1H3;1-4H,(H,9,10);6*1H4
• InChIKey: BTUIQAFAVKQHTI-UHFFFAOYSA-N
• XLogP: 33.79
• TPSA: 391.36 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 33
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2427.80
LogP ≤ 5	33.79
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine?

The IUPAC name of N-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine (CID 157459886) is N-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine.

What is the SMILES notation for N-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine?

The canonical SMILES for N-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine is Brc1cnc2[nH]ccc2c1.C.C.C.C.C.C.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Nc3ccccc3)cnc21.CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Nc4ccccc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(Nc4ccccc4)cc23)c1F.CCCS(=O)(=O)Nc1ccc(F)c(C=O)c1F.c1ccc(Nc2cnc3[nH]ccc3c2)cc1.

What is the InChIKey of N-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine?

The InChIKey is BTUIQAFAVKQHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O3S.C23H20F2N4O3S.C22H31N3Si.C16H25BrN2Si.C13H11N3.C10H11F2NO3S.C7H5BrN2.6CH4/c2*1-2-10-33(31,32)29-19-9-8-18(24)20(21(19)25)22(30)17-13-27-23-16(17)11-15(12-26-23)28-14-6-4-3-5-7-14;1-16(2)26(17(3)4,18(5)6)25-13-12-19-14-21(15-23-22(19)25)24-20-10-8-7-9-11-20;1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;1-2-4-11(5-3-1)16-12-8-10-6-7-14-13(10)15-9-12;1-2-5-17(15,16)13-9-4-3-8(11)7(6-14)10(9)12;8-6-3-5-1-2-9-7(5)10-4-6;;;;;;/h3-9,11-13,22,28-30H,2,10H2,1H3,(H,26,27);3-9,11-13,28-29H,2,10H2,1H3,(H,26,27);7-18,24H,1-6H3;7-13H,1-6H3;1-9,16H,(H,14,15);3-4,6,13H,2,5H2,1H3;1-4H,(H,9,10);6*1H4.

What are the key properties of N-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine?

N-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 2427.80 g/mol, XLogP of 33.79, 33 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(5-anilino-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide;N-[3-[(5-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]propane-1-sulfonamide;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;N-(2,4-difluoro-3-formylphenyl)propane-1-sulfonamide;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine;N-phenyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 157459886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).