N-[2,4-difluoro-3-[2-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide

C57H68F4N8O5S2Si — CID 123960747

About N-[2,4-difluoro-3-[2-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide

N-[2,4-difluoro-3-[2-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide (PubChem CID 123960747) has the molecular formula C57H68F4N8O5S2Si and a molecular weight of 1113.43 g/mol. Its IUPAC name is N-[2,4-difluoro-3-[2-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[2,4-difluoro-3-[2-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide
• PubChem CID: 123960747
• Molecular Formula: C57H68F4N8O5S2Si
• Molecular Weight: 1113.43 g/mol
• Exact Mass: 1112.45
• IUPAC Name: N-[2,4-difluoro-3-[2-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1ccc(F)c(CCc2ccc(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncccc34)cn2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)c1F
• InChI: InChI=1S/C33H44F2N4O3SSi.C24H24F2N4O2S/c1-8-18-43(41,42)38-30-16-15-29(34)27(31(30)35)14-13-25-12-11-24(19-37-25)32(40)28-20-39(33-26(28)10-9-17-36-33)44(21(2)3,22(4)5)23(6)7;1-2-12-33(31,32)30-22-10-9-21(25)20(23(22)26)8-7-18-6-5-16(14-28-18)13-17-15-29-24-19(17)4-3-11-27-24/h9-12,15-17,19-23,32,38,40H,8,13-14,18H2,1-7H3;3-6,9-11,14-15,30H,2,7-8,12-13H2,1H3,(H,27,29)
• InChIKey: KENQCOWEPUPRFR-UHFFFAOYSA-N
• XLogP: 12.52
• TPSA: 184.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1113.43
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-3-[2-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide?

The IUPAC name of N-[2,4-difluoro-3-[2-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide (CID 123960747) is N-[2,4-difluoro-3-[2-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[2,4-difluoro-3-[2-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide?

The canonical SMILES for N-[2,4-difluoro-3-[2-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(CCc2ccc(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncccc34)cn2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(CCc2ccc(Cc3c[nH]c4ncccc34)cn2)c1F.

What is the InChIKey of N-[2,4-difluoro-3-[2-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide?

The InChIKey is KENQCOWEPUPRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44F2N4O3SSi.C24H24F2N4O2S/c1-8-18-43(41,42)38-30-16-15-29(34)27(31(30)35)14-13-25-12-11-24(19-37-25)32(40)28-20-39(33-26(28)10-9-17-36-33)44(21(2)3,22(4)5)23(6)7;1-2-12-33(31,32)30-22-10-9-21(25)20(23(22)26)8-7-18-6-5-16(14-28-18)13-17-15-29-24-19(17)4-3-11-27-24/h9-12,15-17,19-23,32,38,40H,8,13-14,18H2,1-7H3;3-6,9-11,14-15,30H,2,7-8,12-13H2,1H3,(H,27,29).

What are the key properties of N-[2,4-difluoro-3-[2-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide?

N-[2,4-difluoro-3-[2-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide has a molecular weight of 1113.43 g/mol, XLogP of 12.52, 22 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2,4-difluoro-3-[2-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide;N-[2,4-difluoro-3-[2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethyl]phenyl]propane-1-sulfonamide is sourced from PubChem (CID 123960747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).