dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine

C88H81N19O12 — CID 157457865

About dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine

dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine (PubChem CID 157457865) has the molecular formula C88H81N19O12 and a molecular weight of 1596.74 g/mol. Its IUPAC name is dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 157457865
• Molecular Formula: C88H81N19O12
• Molecular Weight: 1596.74 g/mol
• Exact Mass: 1595.63
• IUPAC Name: dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine
• SMILES: CNC(=O)CC(c1cccnc1)c1c[nH]c2ncccc12.CNC(=O)CC(c1cccnc1)c1c[nH]c2ncccc12.COC(=O)C(C(=O)OC)C(c1cccnc1)c1c[nH]c2ncccc12.O=C(O)C(C(=O)O)C(c1cccnc1)c1c[nH]c2ncccc12.O=C(O)CC(c1cccnc1)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C18H17N3O4.2C16H16N4O.C16H13N3O4.C15H13N3O2.C7H6N2/c1-24-17(22)15(18(23)25-2)14(11-5-3-7-19-9-11)13-10-21-16-12(13)6-4-8-20-16;2*1-17-15(21)8-13(11-4-2-6-18-9-11)14-10-20-16-12(14)5-3-7-19-16;20-15(21)13(16(22)23)12(9-3-1-5-17-7-9)11-8-19-14-10(11)4-2-6-18-14;19-14(20)7-12(10-3-1-5-16-8-10)13-9-18-15-11(13)4-2-6-17-15;1-2-6-3-5-9-7(6)8-4-1/h3-10,14-15H,1-2H3,(H,20,21);2*2-7,9-10,13H,8H2,1H3,(H,17,21)(H,19,20);1-8,12-13H,(H,18,19)(H,20,21)(H,22,23);1-6,8-9,12H,7H2,(H,17,18)(H,19,20);1-5H,(H,8,9)
• InChIKey: BTOOKJONFUVEDB-UHFFFAOYSA-N
• XLogP: 12.51
• TPSA: 459.23 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 22
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1596.74
LogP ≤ 5	12.51
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine (CID 157457865) is dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine is CNC(=O)CC(c1cccnc1)c1c[nH]c2ncccc12.CNC(=O)CC(c1cccnc1)c1c[nH]c2ncccc12.COC(=O)C(C(=O)OC)C(c1cccnc1)c1c[nH]c2ncccc12.O=C(O)C(C(=O)O)C(c1cccnc1)c1c[nH]c2ncccc12.O=C(O)CC(c1cccnc1)c1c[nH]c2ncccc12.c1cnc2[nH]ccc2c1.

What is the InChIKey of dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is BTOOKJONFUVEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4.2C16H16N4O.C16H13N3O4.C15H13N3O2.C7H6N2/c1-24-17(22)15(18(23)25-2)14(11-5-3-7-19-9-11)13-10-21-16-12(13)6-4-8-20-16;2*1-17-15(21)8-13(11-4-2-6-18-9-11)14-10-20-16-12(14)5-3-7-19-16;20-15(21)13(16(22)23)12(9-3-1-5-17-7-9)11-8-19-14-10(11)4-2-6-18-14;19-14(20)7-12(10-3-1-5-16-8-10)13-9-18-15-11(13)4-2-6-17-15;1-2-6-3-5-9-7(6)8-4-1/h3-10,14-15H,1-2H3,(H,20,21);2*2-7,9-10,13H,8H2,1H3,(H,17,21)(H,19,20);1-8,12-13H,(H,18,19)(H,20,21)(H,22,23);1-6,8-9,12H,7H2,(H,17,18)(H,19,20);1-5H,(H,8,9).

What are the key properties of dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine?

dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1596.74 g/mol, XLogP of 12.51, 22 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl 2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioate;bis(N-methyl-3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide);2-[pyridin-3-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]propanedioic acid;3-pyridin-3-yl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157457865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).