tert-butyl N-(6-ethoxy-3-pyridinyl)-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;bis(tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate);tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;3-[[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

C162H210F5IN24O17Si4 — CID 161308593

About tert-butyl N-(6-ethoxy-3-pyridinyl)-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;bis(tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate);tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;3-[[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

tert-butyl N-(6-ethoxy-3-pyridinyl)-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;bis(tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate);tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;3-[[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 161308593) has the molecular formula C162H210F5IN24O17Si4 and a molecular weight of 3099.85 g/mol. Its IUPAC name is tert-butyl N-(6-ethoxy-3-pyridinyl)-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;bis(tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate);tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;3-[[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: tert-butyl N-(6-ethoxy-3-pyridinyl)-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;bis(tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate);tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;3-[[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• PubChem CID: 161308593
• Molecular Formula: C162H210F5IN24O17Si4
• Molecular Weight: 3099.85 g/mol
• Exact Mass: 3097.43
• IUPAC Name: tert-butyl N-(6-ethoxy-3-pyridinyl)-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;bis(tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate);tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;3-[[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• SMILES: CCOc1ccc(Cc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cn1.CCOc1ccc(N(C(=O)OC(C)(C)C)c2ccc(C(=O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncc(C)cc34)c(F)n2)cn1.CCOc1ccc(N(C(=O)OC(C)(C)C)c2ccc(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncc(C)cc34)c(F)n2)cn1.CCOc1ccc(N(C(=O)OC(C)(C)C)c2ccc(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncc(C)cc34)c(F)n2)cn1.CCOc1ccc(N(C(=O)OC(C)(C)C)c2ccc(C=O)c(F)n2)cn1.Cc1cnc2c(c1)c(I)cn2[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/2C35H48FN5O4Si.C35H46FN5O4Si.C22H21FN4O.C18H20FN3O4.C17H27IN2Si/c3*1-12-44-30-16-13-25(19-37-30)41(34(43)45-35(9,10)11)29-15-14-26(32(36)39-29)31(42)28-20-40(33-27(28)17-24(8)18-38-33)46(21(2)3,22(4)5)23(6)7;1-3-28-20-7-4-15(12-24-20)9-18-6-5-16(21(23)27-18)10-17-13-26-22-19(17)8-14(2)11-25-22;1-5-25-15-9-7-13(10-20-15)22(17(24)26-18(2,3)4)14-8-6-12(11-23)16(19)21-14;1-11(2)21(12(3)4,13(5)6)20-10-16(18)15-8-14(7)9-19-17(15)20/h2*13-23,31,42H,12H2,1-11H3;13-23H,12H2,1-11H3;4-8,11-13H,3,9-10H2,1-2H3,(H,25,26);6-11H,5H2,1-4H3;8-13H,1-7H3
• InChIKey: VIOYLCWSKOLCAI-UHFFFAOYSA-N
• XLogP: 40.96
• TPSA: 467.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 45
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3099.85
LogP ≤ 5	40.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-(6-ethoxy-3-pyridinyl)-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;bis(tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate);tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;3-[[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The IUPAC name of tert-butyl N-(6-ethoxy-3-pyridinyl)-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;bis(tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate);tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;3-[[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 161308593) is tert-butyl N-(6-ethoxy-3-pyridinyl)-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;bis(tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate);tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;3-[[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

What is the SMILES notation for tert-butyl N-(6-ethoxy-3-pyridinyl)-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;bis(tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate);tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;3-[[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The canonical SMILES for tert-butyl N-(6-ethoxy-3-pyridinyl)-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;bis(tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate);tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;3-[[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is CCOc1ccc(Cc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cn1.CCOc1ccc(N(C(=O)OC(C)(C)C)c2ccc(C(=O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncc(C)cc34)c(F)n2)cn1.CCOc1ccc(N(C(=O)OC(C)(C)C)c2ccc(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncc(C)cc34)c(F)n2)cn1.CCOc1ccc(N(C(=O)OC(C)(C)C)c2ccc(C(O)c3cn([Si](C(C)C)(C(C)C)C(C)C)c4ncc(C)cc34)c(F)n2)cn1.CCOc1ccc(N(C(=O)OC(C)(C)C)c2ccc(C=O)c(F)n2)cn1.Cc1cnc2c(c1)c(I)cn2[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of tert-butyl N-(6-ethoxy-3-pyridinyl)-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;bis(tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate);tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;3-[[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The InChIKey is VIOYLCWSKOLCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H48FN5O4Si.C35H46FN5O4Si.C22H21FN4O.C18H20FN3O4.C17H27IN2Si/c3*1-12-44-30-16-13-25(19-37-30)41(34(43)45-35(9,10)11)29-15-14-26(32(36)39-29)31(42)28-20-40(33-27(28)17-24(8)18-38-33)46(21(2)3,22(4)5)23(6)7;1-3-28-20-7-4-15(12-24-20)9-18-6-5-16(21(23)27-18)10-17-13-26-22-19(17)8-14(2)11-25-22;1-5-25-15-9-7-13(10-20-15)22(17(24)26-18(2,3)4)14-8-6-12(11-23)16(19)21-14;1-11(2)21(12(3)4,13(5)6)20-10-16(18)15-8-14(7)9-19-17(15)20/h2*13-23,31,42H,12H2,1-11H3;13-23H,12H2,1-11H3;4-8,11-13H,3,9-10H2,1-2H3,(H,25,26);6-11H,5H2,1-4H3;8-13H,1-7H3.

What are the key properties of tert-butyl N-(6-ethoxy-3-pyridinyl)-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;bis(tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate);tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;3-[[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

tert-butyl N-(6-ethoxy-3-pyridinyl)-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;bis(tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate);tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;3-[[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 3099.85 g/mol, XLogP of 40.96, 45 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(6-ethoxy-3-pyridinyl)-N-(6-fluoro-5-formyl-2-pyridinyl)carbamate;bis(tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]carbamate);tert-butyl N-(6-ethoxy-3-pyridinyl)-N-[6-fluoro-5-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-3-carbonyl]-2-pyridinyl]carbamate;3-[[6-[(6-ethoxy-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 161308593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).