tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-methoxy-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;(5-fluoro-3-formyl-2-pyridinyl)-methylideneoxidanium;3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-5-methoxy-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-methoxy-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine

C101H108F2N17O15+ — CID 158935873

About tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-methoxy-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;(5-fluoro-3-formyl-2-pyridinyl)-methylideneoxidanium;3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-5-methoxy-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-methoxy-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine

tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-methoxy-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;(5-fluoro-3-formyl-2-pyridinyl)-methylideneoxidanium;3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-5-methoxy-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-methoxy-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158935873) has the molecular formula C101H108F2N17O15+ and a molecular weight of 1838.07 g/mol. Its IUPAC name is tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-methoxy-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;(5-fluoro-3-formyl-2-pyridinyl)-methylideneoxidanium;3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-5-methoxy-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-methoxy-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-methoxy-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;(5-fluoro-3-formyl-2-pyridinyl)-methylideneoxidanium;3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-5-methoxy-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-methoxy-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158935873
• Molecular Formula: C101H108F2N17O15+
• Molecular Weight: 1838.07 g/mol
• Exact Mass: 1836.82
• IUPAC Name: tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-methoxy-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;(5-fluoro-3-formyl-2-pyridinyl)-methylideneoxidanium;3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-5-methoxy-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-methoxy-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine
• SMILES: C=[O+]c1ncc(F)cc1C=O.COc1cc(Cc2c[nH]c3ncc(C)cc23)cnc1CCc1cc(F)cnc1OC.COc1cc(Cc2c[nH]c3ncc(C)cc23)cnc1N.COc1ccc(CN(C(=O)OC(C)(C)C)c2ncc(C(O)c3c[nH]c4ncc(C)cc34)cc2OC)cc1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ncc(C=O)cc2OC)cc1.Cc1cnc2[nH]ccc2c1
• InChI: InChI=1S/C28H32N4O5.C23H23FN4O2.C20H24N2O5.C15H16N4O.C8H8N2.C7H5FNO2/c1-17-11-21-22(15-30-25(21)29-13-17)24(33)19-12-23(36-6)26(31-14-19)32(27(34)37-28(2,3)4)16-18-7-9-20(35-5)10-8-18;1-14-6-19-17(12-27-22(19)26-10-14)7-15-8-21(29-2)20(25-11-15)5-4-16-9-18(24)13-28-23(16)30-3;1-20(2,3)27-19(24)22(12-14-6-8-16(25-4)9-7-14)18-17(26-5)10-15(13-23)11-21-18;1-9-3-12-11(8-19-15(12)18-6-9)4-10-5-13(20-2)14(16)17-7-10;1-6-4-7-2-3-9-8(7)10-5-6;1-11-7-5(4-10)2-6(8)3-9-7/h7-15,24,33H,16H2,1-6H3,(H,29,30);6,8-13H,4-5,7H2,1-3H3,(H,26,27);6-11,13H,12H2,1-5H3;3,5-8H,4H2,1-2H3,(H2,16,17)(H,18,19);2-5H,1H3,(H,9,10);2-4H,1H2/q;;;;;+1
• InChIKey: JJQGQARJEGBSMY-UHFFFAOYSA-N
• XLogP: 18.78
• TPSA: 407.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1838.07
LogP ≤ 5	18.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-methoxy-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;(5-fluoro-3-formyl-2-pyridinyl)-methylideneoxidanium;3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-5-methoxy-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-methoxy-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-methoxy-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;(5-fluoro-3-formyl-2-pyridinyl)-methylideneoxidanium;3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-5-methoxy-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-methoxy-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine (CID 158935873) is tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-methoxy-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;(5-fluoro-3-formyl-2-pyridinyl)-methylideneoxidanium;3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-5-methoxy-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-methoxy-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-methoxy-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;(5-fluoro-3-formyl-2-pyridinyl)-methylideneoxidanium;3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-5-methoxy-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-methoxy-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-methoxy-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;(5-fluoro-3-formyl-2-pyridinyl)-methylideneoxidanium;3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-5-methoxy-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-methoxy-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine is C=[O+]c1ncc(F)cc1C=O.COc1cc(Cc2c[nH]c3ncc(C)cc23)cnc1CCc1cc(F)cnc1OC.COc1cc(Cc2c[nH]c3ncc(C)cc23)cnc1N.COc1ccc(CN(C(=O)OC(C)(C)C)c2ncc(C(O)c3c[nH]c4ncc(C)cc34)cc2OC)cc1.COc1ccc(CN(C(=O)OC(C)(C)C)c2ncc(C=O)cc2OC)cc1.Cc1cnc2[nH]ccc2c1.

What is the InChIKey of tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-methoxy-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;(5-fluoro-3-formyl-2-pyridinyl)-methylideneoxidanium;3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-5-methoxy-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-methoxy-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is JJQGQARJEGBSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5.C23H23FN4O2.C20H24N2O5.C15H16N4O.C8H8N2.C7H5FNO2/c1-17-11-21-22(15-30-25(21)29-13-17)24(33)19-12-23(36-6)26(31-14-19)32(27(34)37-28(2,3)4)16-18-7-9-20(35-5)10-8-18;1-14-6-19-17(12-27-22(19)26-10-14)7-15-8-21(29-2)20(25-11-15)5-4-16-9-18(24)13-28-23(16)30-3;1-20(2,3)27-19(24)22(12-14-6-8-16(25-4)9-7-14)18-17(26-5)10-15(13-23)11-21-18;1-9-3-12-11(8-19-15(12)18-6-9)4-10-5-13(20-2)14(16)17-7-10;1-6-4-7-2-3-9-8(7)10-5-6;1-11-7-5(4-10)2-6(8)3-9-7/h7-15,24,33H,16H2,1-6H3,(H,29,30);6,8-13H,4-5,7H2,1-3H3,(H,26,27);6-11,13H,12H2,1-5H3;3,5-8H,4H2,1-2H3,(H2,16,17)(H,18,19);2-5H,1H3,(H,9,10);2-4H,1H2/q;;;;;+1.

What are the key properties of tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-methoxy-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;(5-fluoro-3-formyl-2-pyridinyl)-methylideneoxidanium;3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-5-methoxy-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-methoxy-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine?

tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-methoxy-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;(5-fluoro-3-formyl-2-pyridinyl)-methylideneoxidanium;3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-5-methoxy-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-methoxy-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1838.07 g/mol, XLogP of 18.78, 25 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(5-formyl-3-methoxy-2-pyridinyl)-N-[(4-methoxyphenyl)methyl]carbamate;tert-butyl N-[5-[hydroxy-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-methoxy-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]carbamate;(5-fluoro-3-formyl-2-pyridinyl)-methylideneoxidanium;3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-5-methoxy-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-methoxy-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158935873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).