dimethyl 2-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethyl]propanedioate;4-methoxy-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropanamide;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid

C77H80N16O12 — CID 162048685

About dimethyl 2-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethyl]propanedioate;4-methoxy-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropanamide;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid

dimethyl 2-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethyl]propanedioate;4-methoxy-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropanamide;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid (PubChem CID 162048685) has the molecular formula C77H80N16O12 and a molecular weight of 1421.59 g/mol. Its IUPAC name is dimethyl 2-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethyl]propanedioate;4-methoxy-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropanamide;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid.

Molecular Properties

• Compound Name: dimethyl 2-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethyl]propanedioate;4-methoxy-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropanamide;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid
• PubChem CID: 162048685
• Molecular Formula: C77H80N16O12
• Molecular Weight: 1421.59 g/mol
• Exact Mass: 1420.61
• IUPAC Name: dimethyl 2-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethyl]propanedioate;4-methoxy-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropanamide;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid
• SMILES: CNC(=O)CC(c1cccnc1)c1c[nH]c2nccc(OC)c12.CNCCC(c1cccnc1)c1c[nH]c2nccc(OC)c12.COC(=O)C(C(=O)OC)C(c1cccnc1)c1c[nH]c2nccc(OC)c12.COc1ccnc2[nH]cc(C(CC(=O)O)c3cccnc3)c12.COc1ccnc2[nH]ccc12
• InChI: InChI=1S/C19H19N3O5.C17H18N4O2.C17H20N4O.C16H15N3O3.C8H8N2O/c1-25-13-6-8-21-17-15(13)12(10-22-17)14(11-5-4-7-20-9-11)16(18(23)26-2)19(24)27-3;1-18-15(22)8-12(11-4-3-6-19-9-11)13-10-21-17-16(13)14(23-2)5-7-20-17;1-18-8-5-13(12-4-3-7-19-10-12)14-11-21-17-16(14)15(22-2)6-9-20-17;1-22-13-4-6-18-16-15(13)12(9-19-16)11(7-14(20)21)10-3-2-5-17-8-10;1-11-7-3-5-10-8-6(7)2-4-9-8/h4-10,14,16H,1-3H3,(H,21,22);3-7,9-10,12H,8H2,1-2H3,(H,18,22)(H,20,21);3-4,6-7,9-11,13,18H,5,8H2,1-2H3,(H,20,21);2-6,8-9,11H,7H2,1H3,(H,18,19)(H,20,21);2-5H,1H3,(H,9,10)
• InChIKey: YYGHMEDKAGVJQH-UHFFFAOYSA-N
• XLogP: 11.15
• TPSA: 372.14 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1421.59
LogP ≤ 5	11.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethyl]propanedioate;4-methoxy-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropanamide;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid?

The IUPAC name of dimethyl 2-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethyl]propanedioate;4-methoxy-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropanamide;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid (CID 162048685) is dimethyl 2-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethyl]propanedioate;4-methoxy-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropanamide;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid.

What is the SMILES notation for dimethyl 2-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethyl]propanedioate;4-methoxy-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropanamide;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid?

The canonical SMILES for dimethyl 2-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethyl]propanedioate;4-methoxy-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropanamide;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid is CNC(=O)CC(c1cccnc1)c1c[nH]c2nccc(OC)c12.CNCCC(c1cccnc1)c1c[nH]c2nccc(OC)c12.COC(=O)C(C(=O)OC)C(c1cccnc1)c1c[nH]c2nccc(OC)c12.COc1ccnc2[nH]cc(C(CC(=O)O)c3cccnc3)c12.COc1ccnc2[nH]ccc12.

What is the InChIKey of dimethyl 2-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethyl]propanedioate;4-methoxy-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropanamide;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid?

The InChIKey is YYGHMEDKAGVJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5.C17H18N4O2.C17H20N4O.C16H15N3O3.C8H8N2O/c1-25-13-6-8-21-17-15(13)12(10-22-17)14(11-5-4-7-20-9-11)16(18(23)26-2)19(24)27-3;1-18-15(22)8-12(11-4-3-6-19-9-11)13-10-21-17-16(13)14(23-2)5-7-20-17;1-18-8-5-13(12-4-3-7-19-10-12)14-11-21-17-16(14)15(22-2)6-9-20-17;1-22-13-4-6-18-16-15(13)12(9-19-16)11(7-14(20)21)10-3-2-5-17-8-10;1-11-7-3-5-10-8-6(7)2-4-9-8/h4-10,14,16H,1-3H3,(H,21,22);3-7,9-10,12H,8H2,1-2H3,(H,18,22)(H,20,21);3-4,6-7,9-11,13,18H,5,8H2,1-2H3,(H,20,21);2-6,8-9,11H,7H2,1H3,(H,18,19)(H,20,21);2-5H,1H3,(H,9,10).

What are the key properties of dimethyl 2-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethyl]propanedioate;4-methoxy-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropanamide;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid?

dimethyl 2-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethyl]propanedioate;4-methoxy-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropanamide;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid has a molecular weight of 1421.59 g/mol, XLogP of 11.15, 23 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl 2-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-pyridin-3-ylmethyl]propanedioate;4-methoxy-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropanamide;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine;3-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 162048685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).