tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;N-[2,4-difluoro-3-[[[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]propane-1-sulfonamide;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

C97H124F6IN15O12S3Si2 — CID 158742960

About tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;N-[2,4-difluoro-3-[[[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]propane-1-sulfonamide;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;N-[2,4-difluoro-3-[[[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]propane-1-sulfonamide;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 158742960) has the molecular formula C97H124F6IN15O12S3Si2 and a molecular weight of 2085.42 g/mol. Its IUPAC name is tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;N-[2,4-difluoro-3-[[[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]propane-1-sulfonamide;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;N-[2,4-difluoro-3-[[[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]propane-1-sulfonamide;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• PubChem CID: 158742960
• Molecular Formula: C97H124F6IN15O12S3Si2
• Molecular Weight: 2085.42 g/mol
• Exact Mass: 2083.72
• IUPAC Name: tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;N-[2,4-difluoro-3-[[[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]propane-1-sulfonamide;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cccnc21.CCCS(=O)(=O)Nc1ccc(F)c(CN(C(=O)OC(C)(C)C)c2ccc(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncccc34)cn2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(CN(C(=O)OC(C)(C)C)c2ccc(C=O)cn2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)c1F
• InChI: InChI=1S/C37H51F2N5O5SSi.C23H23F2N5O2S.C21H25F2N3O5S.C16H25IN2Si/c1-11-19-50(47,48)42-31-16-15-30(38)29(33(31)39)21-43(36(46)49-37(8,9)10)32-17-14-26(20-41-32)34(45)28-22-44(35-27(28)13-12-18-40-35)51(23(2)3,24(4)5)25(6)7;1-2-10-33(31,32)30-20-7-6-19(24)18(22(20)25)14-28-21-8-5-15(12-27-21)11-16-13-29-23-17(16)4-3-9-26-23;1-5-10-32(29,30)25-17-8-7-16(22)15(19(17)23)12-26(20(28)31-21(2,3)4)18-9-6-14(13-27)11-24-18;1-11(2)20(12(3)4,13(5)6)19-10-15(17)14-8-7-9-18-16(14)19/h12-18,20,22-25,34,42,45H,11,19,21H2,1-10H3;3-9,12-13,30H,2,10-11,14H2,1H3,(H,26,29)(H,27,28);6-9,11,13,25H,5,10,12H2,1-4H3;7-13H,1-6H3
• InChIKey: IMNKYCNNBNBDEU-UHFFFAOYSA-N
• XLogP: 23.43
• TPSA: 349.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 34
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2085.42
LogP ≤ 5	23.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;N-[2,4-difluoro-3-[[[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]propane-1-sulfonamide;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The IUPAC name of tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;N-[2,4-difluoro-3-[[[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]propane-1-sulfonamide;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 158742960) is tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;N-[2,4-difluoro-3-[[[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]propane-1-sulfonamide;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

What is the SMILES notation for tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;N-[2,4-difluoro-3-[[[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]propane-1-sulfonamide;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The canonical SMILES for tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;N-[2,4-difluoro-3-[[[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]propane-1-sulfonamide;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1cc(I)c2cccnc21.CCCS(=O)(=O)Nc1ccc(F)c(CN(C(=O)OC(C)(C)C)c2ccc(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncccc34)cn2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(CN(C(=O)OC(C)(C)C)c2ccc(C=O)cn2)c1F.CCCS(=O)(=O)Nc1ccc(F)c(CNc2ccc(Cc3c[nH]c4ncccc34)cn2)c1F.

What is the InChIKey of tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;N-[2,4-difluoro-3-[[[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]propane-1-sulfonamide;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The InChIKey is IMNKYCNNBNBDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H51F2N5O5SSi.C23H23F2N5O2S.C21H25F2N3O5S.C16H25IN2Si/c1-11-19-50(47,48)42-31-16-15-30(38)29(33(31)39)21-43(36(46)49-37(8,9)10)32-17-14-26(20-41-32)34(45)28-22-44(35-27(28)13-12-18-40-35)51(23(2)3,24(4)5)25(6)7;1-2-10-33(31,32)30-20-7-6-19(24)18(22(20)25)14-28-21-8-5-15(12-27-21)11-16-13-29-23-17(16)4-3-9-26-23;1-5-10-32(29,30)25-17-8-7-16(22)15(19(17)23)12-26(20(28)31-21(2,3)4)18-9-6-14(13-27)11-24-18;1-11(2)20(12(3)4,13(5)6)19-10-15(17)14-8-7-9-18-16(14)19/h12-18,20,22-25,34,42,45H,11,19,21H2,1-10H3;3-9,12-13,30H,2,10-11,14H2,1H3,(H,26,29)(H,27,28);6-9,11,13,25H,5,10,12H2,1-4H3;7-13H,1-6H3.

What are the key properties of tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;N-[2,4-difluoro-3-[[[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]propane-1-sulfonamide;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;N-[2,4-difluoro-3-[[[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]propane-1-sulfonamide;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 2085.42 g/mol, XLogP of 23.43, 34 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-(5-formyl-2-pyridinyl)carbamate;tert-butyl N-[[2,6-difluoro-3-(propylsulfonylamino)phenyl]methyl]-N-[5-[hydroxy-[1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate;N-[2,4-difluoro-3-[[[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]amino]methyl]phenyl]propane-1-sulfonamide;(3-iodopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 158742960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).