N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;1-methylpyrrolo[2,3-b]pyridine

C45H52N14O8 — CID 172933205

About N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;1-methylpyrrolo[2,3-b]pyridine

N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;1-methylpyrrolo[2,3-b]pyridine (PubChem CID 172933205) has the molecular formula C45H52N14O8 and a molecular weight of 917.00 g/mol. Its IUPAC name is N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;1-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;1-methylpyrrolo[2,3-b]pyridine
• PubChem CID: 172933205
• Molecular Formula: C45H52N14O8
• Molecular Weight: 917.00 g/mol
• Exact Mass: 916.41
• IUPAC Name: N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;1-methylpyrrolo[2,3-b]pyridine
• SMILES: COc1nc(/C(N)=N/OCC(OC)OC)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3cn(C)c4ncccc34)CON2)ccc1-n1cnc(C)c1.Cn1ccc2cccnc21.O=CO
• InChI: InChI=1S/C21H21N7O2.C15H21N5O4.C8H8N2.CH2O2/c1-13-9-28(12-23-13)18-7-6-16(25-21(18)29-3)19-24-17(11-30-26-19)15-10-27(2)20-14(15)5-4-8-22-20;1-10-7-20(9-17-10)12-6-5-11(18-15(12)23-4)14(16)19-24-8-13(21-2)22-3;1-10-6-4-7-3-2-5-9-8(7)10;2-1-3/h4-10,12,17H,11H2,1-3H3,(H,24,26);5-7,9,13H,8H2,1-4H3,(H2,16,19);2-6H,1H3;1H,(H,2,3)
• InChIKey: BLDSRCIRVBZPPW-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 252.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.00
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;1-methylpyrrolo[2,3-b]pyridine?

The IUPAC name of N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;1-methylpyrrolo[2,3-b]pyridine (CID 172933205) is N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;1-methylpyrrolo[2,3-b]pyridine.

What is the SMILES notation for N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;1-methylpyrrolo[2,3-b]pyridine?

The canonical SMILES for N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;1-methylpyrrolo[2,3-b]pyridine is COc1nc(/C(N)=N/OCC(OC)OC)ccc1-n1cnc(C)c1.COc1nc(C2=NC(c3cn(C)c4ncccc34)CON2)ccc1-n1cnc(C)c1.Cn1ccc2cccnc21.O=CO.

What is the InChIKey of N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;1-methylpyrrolo[2,3-b]pyridine?

The InChIKey is BLDSRCIRVBZPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2.C15H21N5O4.C8H8N2.CH2O2/c1-13-9-28(12-23-13)18-7-6-16(25-21(18)29-3)19-24-17(11-30-26-19)15-10-27(2)20-14(15)5-4-8-22-20;1-10-7-20(9-17-10)12-6-5-11(18-15(12)23-4)14(16)19-24-8-13(21-2)22-3;1-10-6-4-7-3-2-5-9-8(7)10;2-1-3/h4-10,12,17H,11H2,1-3H3,(H,24,26);5-7,9,13H,8H2,1-4H3,(H2,16,19);2-6H,1H3;1H,(H,2,3).

What are the key properties of N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;1-methylpyrrolo[2,3-b]pyridine?

N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;1-methylpyrrolo[2,3-b]pyridine has a molecular weight of 917.00 g/mol, XLogP of 4.61, 12 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(2,2-dimethoxyethoxy)-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboximidamide;formic acid;3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-5,6-dihydro-2H-1,2,4-oxadiazine;1-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 172933205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).