tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;2-ethylpyrimidine-5-carbaldehyde;3-[[6-[2-(2-ethylpyrimidin-5-yl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

C115H140F4IN19O9Si2 — CID 161282074

About tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;2-ethylpyrimidine-5-carbaldehyde;3-[[6-[2-(2-ethylpyrimidin-5-yl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane

tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;2-ethylpyrimidine-5-carbaldehyde;3-[[6-[2-(2-ethylpyrimidin-5-yl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (PubChem CID 161282074) has the molecular formula C115H140F4IN19O9Si2 and a molecular weight of 2191.58 g/mol. Its IUPAC name is tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;2-ethylpyrimidine-5-carbaldehyde;3-[[6-[2-(2-ethylpyrimidin-5-yl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;2-ethylpyrimidine-5-carbaldehyde;3-[[6-[2-(2-ethylpyrimidin-5-yl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• PubChem CID: 161282074
• Molecular Formula: C115H140F4IN19O9Si2
• Molecular Weight: 2191.58 g/mol
• Exact Mass: 2189.96
• IUPAC Name: tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;2-ethylpyrimidine-5-carbaldehyde;3-[[6-[2-(2-ethylpyrimidin-5-yl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane
• SMILES: CCc1ncc(C=O)cn1.CCc1ncc(CCc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cn1.COc1ccc(CN(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)cc1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)c(F)n2)cc1.Cc1cnc2[nH]cc(Cc3ccc(N)nc3F)c2c1.Cc1cnc2c(c1)c(I)cn2[Si](C(C)C)(C(C)C)C(C)C
• InChI: InChI=1S/C36H49FN4O4Si.C22H22FN5.C19H21FN2O4.C17H27IN2Si.C14H13FN4.C7H8N2O/c1-22(2)46(23(3)4,24(5)6)41-21-30(29-18-25(7)19-38-34(29)41)32(42)28-16-17-31(39-33(28)37)40(35(43)45-36(8,9)10)20-26-12-14-27(44-11)15-13-26;1-3-20-24-11-15(12-25-20)4-6-18-7-5-16(21(23)28-18)9-17-13-27-22-19(17)8-14(2)10-26-22;1-19(2,3)26-18(24)22(11-13-5-8-15(25-4)9-6-13)16-10-7-14(12-23)17(20)21-16;1-11(2)21(12(3)4,13(5)6)20-10-16(18)15-8-14(7)9-19-17(15)20;1-8-4-11-10(7-18-14(11)17-6-8)5-9-2-3-12(16)19-13(9)15;1-2-7-8-3-6(5-10)4-9-7/h12-19,21-24,32,42H,20H2,1-11H3;5,7-8,10-13H,3-4,6,9H2,1-2H3,(H,26,27);5-10,12H,11H2,1-4H3;8-13H,1-7H3;2-4,6-7H,5H2,1H3,(H2,16,19)(H,17,18);3-5H,2H2,1H3
• InChIKey: VFFMMDRRBKRHNT-UHFFFAOYSA-N
• XLogP: 26.45
• TPSA: 354.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2191.58
LogP ≤ 5	26.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'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-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;2-ethylpyrimidine-5-carbaldehyde;3-[[6-[2-(2-ethylpyrimidin-5-yl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The IUPAC name of tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;2-ethylpyrimidine-5-carbaldehyde;3-[[6-[2-(2-ethylpyrimidin-5-yl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane (CID 161282074) is tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;2-ethylpyrimidine-5-carbaldehyde;3-[[6-[2-(2-ethylpyrimidin-5-yl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(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-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;2-ethylpyrimidine-5-carbaldehyde;3-[[6-[2-(2-ethylpyrimidin-5-yl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The canonical SMILES for tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;2-ethylpyrimidine-5-carbaldehyde;3-[[6-[2-(2-ethylpyrimidin-5-yl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is CCc1ncc(C=O)cn1.CCc1ncc(CCc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cn1.COc1ccc(CN(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)cc1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C=O)c(F)n2)cc1.Cc1cnc2[nH]cc(Cc3ccc(N)nc3F)c2c1.Cc1cnc2c(c1)c(I)cn2[Si](C(C)C)(C(C)C)C(C)C.

What is the InChIKey of tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;2-ethylpyrimidine-5-carbaldehyde;3-[[6-[2-(2-ethylpyrimidin-5-yl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

The InChIKey is VFFMMDRRBKRHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H49FN4O4Si.C22H22FN5.C19H21FN2O4.C17H27IN2Si.C14H13FN4.C7H8N2O/c1-22(2)46(23(3)4,24(5)6)41-21-30(29-18-25(7)19-38-34(29)41)32(42)28-16-17-31(39-33(28)37)40(35(43)45-36(8,9)10)20-26-12-14-27(44-11)15-13-26;1-3-20-24-11-15(12-25-20)4-6-18-7-5-16(21(23)28-18)9-17-13-27-22-19(17)8-14(2)10-26-22;1-19(2,3)26-18(24)22(11-13-5-8-15(25-4)9-6-13)16-10-7-14(12-23)17(20)21-16;1-11(2)21(12(3)4,13(5)6)20-10-16(18)15-8-14(7)9-19-17(15)20;1-8-4-11-10(7-18-14(11)17-6-8)5-9-2-3-12(16)19-13(9)15;1-2-7-8-3-6(5-10)4-9-7/h12-19,21-24,32,42H,20H2,1-11H3;5,7-8,10-13H,3-4,6,9H2,1-2H3,(H,26,27);5-10,12H,11H2,1-4H3;8-13H,1-7H3;2-4,6-7H,5H2,1H3,(H2,16,19)(H,17,18);3-5H,2H2,1H3.

What are the key properties of tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;2-ethylpyrimidine-5-carbaldehyde;3-[[6-[2-(2-ethylpyrimidin-5-yl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane?

tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;2-ethylpyrimidine-5-carbaldehyde;3-[[6-[2-(2-ethylpyrimidin-5-yl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane has a molecular weight of 2191.58 g/mol, XLogP of 26.45, 29 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(6-fluoro-5-formyl-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[6-fluoro-5-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-3-yl]methyl]-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;2-ethylpyrimidine-5-carbaldehyde;3-[[6-[2-(2-ethylpyrimidin-5-yl)ethyl]-2-fluoro-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;6-fluoro-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;(3-iodo-5-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane is sourced from PubChem (CID 161282074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).