N-benzyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;carbon dioxide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

C85H93Br2N13O7Si2 — CID 158203151

About N-benzyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;carbon dioxide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid

N-benzyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;carbon dioxide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (PubChem CID 158203151) has the molecular formula C85H93Br2N13O7Si2 and a molecular weight of 1624.74 g/mol. Its IUPAC name is N-benzyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;carbon dioxide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: N-benzyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;carbon dioxide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
• PubChem CID: 158203151
• Molecular Formula: C85H93Br2N13O7Si2
• Molecular Weight: 1624.74 g/mol
• Exact Mass: 1621.52
• IUPAC Name: N-benzyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;carbon dioxide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
• SMILES: Brc1cnc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Cc3ccccc3)cnc21.O=C(NCc1ccccc1)c1cnc2[nH]ccc2c1.O=C(O)c1cnc2[nH]ccc2c1.O=C(OCc1ccccc1)c1cnc2[nH]ccc2c1.O=C=O
• InChI: InChI=1S/C23H32N2Si.C16H25BrN2Si.C15H13N3O.C15H12N2O2.C8H6N2O2.C7H5BrN2.CO2/c1-17(2)26(18(3)4,19(5)6)25-13-12-22-15-21(16-24-23(22)25)14-20-10-8-7-9-11-20;1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;19-15(18-9-11-4-2-1-3-5-11)13-8-12-6-7-16-14(12)17-10-13;18-15(19-10-11-4-2-1-3-5-11)13-8-12-6-7-16-14(12)17-9-13;11-8(12)6-3-5-1-2-9-7(5)10-4-6;8-6-3-5-1-2-9-7(5)10-4-6;2-1-3/h7-13,15-19H,14H2,1-6H3;7-13H,1-6H3;1-8,10H,9H2,(H,16,17)(H,18,19);1-9H,10H2,(H,16,17);1-4H,(H,9,10)(H,11,12);1-4H,(H,9,10)
• InChIKey: GBEIWHIZCSCHIR-UHFFFAOYSA-N
• XLogP: 20.89
• TPSA: 277.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1624.74
LogP ≤ 5	20.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;carbon dioxide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The IUPAC name of N-benzyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;carbon dioxide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (CID 158203151) is N-benzyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;carbon dioxide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid.

What is the SMILES notation for N-benzyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;carbon dioxide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The canonical SMILES for N-benzyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;carbon dioxide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is Brc1cnc2[nH]ccc2c1.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Br)cnc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(Cc3ccccc3)cnc21.O=C(NCc1ccccc1)c1cnc2[nH]ccc2c1.O=C(O)c1cnc2[nH]ccc2c1.O=C(OCc1ccccc1)c1cnc2[nH]ccc2c1.O=C=O.

What is the InChIKey of N-benzyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;carbon dioxide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

The InChIKey is GBEIWHIZCSCHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2Si.C16H25BrN2Si.C15H13N3O.C15H12N2O2.C8H6N2O2.C7H5BrN2.CO2/c1-17(2)26(18(3)4,19(5)6)25-13-12-22-15-21(16-24-23(22)25)14-20-10-8-7-9-11-20;1-11(2)20(12(3)4,13(5)6)19-8-7-14-9-15(17)10-18-16(14)19;19-15(18-9-11-4-2-1-3-5-11)13-8-12-6-7-16-14(12)17-10-13;18-15(19-10-11-4-2-1-3-5-11)13-8-12-6-7-16-14(12)17-9-13;11-8(12)6-3-5-1-2-9-7(5)10-4-6;8-6-3-5-1-2-9-7(5)10-4-6;2-1-3/h7-13,15-19H,14H2,1-6H3;7-13H,1-6H3;1-8,10H,9H2,(H,16,17)(H,18,19);1-9H,10H2,(H,16,17);1-4H,(H,9,10)(H,11,12);1-4H,(H,9,10);.

What are the key properties of N-benzyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;carbon dioxide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid?

N-benzyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;carbon dioxide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 1624.74 g/mol, XLogP of 20.89, 17 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;benzyl 1H-pyrrolo[2,3-b]pyridine-5-carboxylate;(5-benzylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;carbon dioxide;1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 158203151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).