tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluorobenzoyl chloride;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride

C64H51Cl2F2N11O10 — CID 157495185

About tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluorobenzoyl chloride;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride

tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluorobenzoyl chloride;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride (PubChem CID 157495185) has the molecular formula C64H51Cl2F2N11O10 and a molecular weight of 1243.08 g/mol. Its IUPAC name is tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluorobenzoyl chloride;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluorobenzoyl chloride;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
• PubChem CID: 157495185
• Molecular Formula: C64H51Cl2F2N11O10
• Molecular Weight: 1243.08 g/mol
• Exact Mass: 1241.32
• IUPAC Name: tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluorobenzoyl chloride;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride
• SMILES: CC(C)(C)OC(=O)Nc1cnc2[nH]cc(-c3ccoc3)c2c1.Cl.Nc1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Cl)c1ccc(F)cc1.O=C(Nc1cnc2[nH]cc(-c3ccoc3)c2c1)c1ccc(F)cc1.O=C(O)c1cnc2[nH]cc(-c3ccoc3)c2c1
• InChI: InChI=1S/C18H12FN3O2.C16H17N3O3.C12H8N2O3.C11H9N3O.C7H4ClFO.ClH/c19-13-3-1-11(2-4-13)18(23)22-14-7-15-16(12-5-6-24-10-12)9-21-17(15)20-8-14;1-16(2,3)22-15(20)19-11-6-12-13(10-4-5-21-9-10)8-18-14(12)17-7-11;15-12(16)8-3-9-10(7-1-2-17-6-7)5-14-11(9)13-4-8;12-8-3-9-10(7-1-2-15-6-7)5-14-11(9)13-4-8;8-7(10)5-1-3-6(9)4-2-5;/h1-10H,(H,20,21)(H,22,23);4-9H,1-3H3,(H,17,18)(H,19,20);1-6H,(H,13,14)(H,15,16);1-6H,12H2,(H,13,14);1-4H;1H
• InChIKey: FWHAPFRUCUNQBJ-UHFFFAOYSA-N
• XLogP: 15.94
• TPSA: 315.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1243.08
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluorobenzoyl chloride;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?

The IUPAC name of tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluorobenzoyl chloride;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride (CID 157495185) is tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluorobenzoyl chloride;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride.

What is the SMILES notation for tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluorobenzoyl chloride;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?

The canonical SMILES for tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluorobenzoyl chloride;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)Nc1cnc2[nH]cc(-c3ccoc3)c2c1.Cl.Nc1cnc2[nH]cc(-c3ccoc3)c2c1.O=C(Cl)c1ccc(F)cc1.O=C(Nc1cnc2[nH]cc(-c3ccoc3)c2c1)c1ccc(F)cc1.O=C(O)c1cnc2[nH]cc(-c3ccoc3)c2c1.

What is the InChIKey of tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluorobenzoyl chloride;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?

The InChIKey is FWHAPFRUCUNQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2.C16H17N3O3.C12H8N2O3.C11H9N3O.C7H4ClFO.ClH/c19-13-3-1-11(2-4-13)18(23)22-14-7-15-16(12-5-6-24-10-12)9-21-17(15)20-8-14;1-16(2,3)22-15(20)19-11-6-12-13(10-4-5-21-9-10)8-18-14(12)17-7-11;15-12(16)8-3-9-10(7-1-2-17-6-7)5-14-11(9)13-4-8;12-8-3-9-10(7-1-2-15-6-7)5-14-11(9)13-4-8;8-7(10)5-1-3-6(9)4-2-5;/h1-10H,(H,20,21)(H,22,23);4-9H,1-3H3,(H,17,18)(H,19,20);1-6H,(H,13,14)(H,15,16);1-6H,12H2,(H,13,14);1-4H;1H.

What are the key properties of tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluorobenzoyl chloride;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride?

tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluorobenzoyl chloride;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride has a molecular weight of 1243.08 g/mol, XLogP of 15.94, 9 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate;4-fluorobenzoyl chloride;4-fluoro-N-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-amine;3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 157495185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).