N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane;phenylmethanamine

C68H74BrF3N8O3Si2 — CID 160688318

About N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane;phenylmethanamine

N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane;phenylmethanamine (PubChem CID 160688318) has the molecular formula C68H74BrF3N8O3Si2 and a molecular weight of 1244.46 g/mol. Its IUPAC name is N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane;phenylmethanamine.

Molecular Properties

• Compound Name: N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane;phenylmethanamine
• PubChem CID: 160688318
• Molecular Formula: C68H74BrF3N8O3Si2
• Molecular Weight: 1244.46 g/mol
• Exact Mass: 1242.46
• IUPAC Name: N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane;phenylmethanamine
• SMILES: C.CC(C)(C)[Si](C)(C)n1cc(Br)c2cc(-c3cccc(F)c3)cnc21.CC(C)(C)[Si](C)(C)n1cc(C(=O)O)c2cc(-c3cccc(F)c3)cnc21.NCc1ccccc1.O=C(NCc1ccccc1)c1c[nH]c2ncc(-c3cccc(F)c3)cc12
• InChI: InChI=1S/C21H16FN3O.C20H23FN2O2Si.C19H22BrFN2Si.C7H9N.CH4/c22-17-8-4-7-15(9-17)16-10-18-19(13-24-20(18)23-12-16)21(26)25-11-14-5-2-1-3-6-14;1-20(2,3)26(4,5)23-12-17(19(24)25)16-10-14(11-22-18(16)23)13-7-6-8-15(21)9-13;1-19(2,3)24(4,5)23-12-17(20)16-10-14(11-22-18(16)23)13-7-6-8-15(21)9-13;8-6-7-4-2-1-3-5-7;/h1-10,12-13H,11H2,(H,23,24)(H,25,26);6-12H,1-5H3,(H,24,25);6-12H,1-5H3;1-5H,6,8H2;1H4
• InChIKey: RPBLGTSJZXXVHY-UHFFFAOYSA-N
• XLogP: 17.93
• TPSA: 156.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1244.46
LogP ≤ 5	17.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane;phenylmethanamine?

The IUPAC name of N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane;phenylmethanamine (CID 160688318) is N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane;phenylmethanamine.

What is the SMILES notation for N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane;phenylmethanamine?

The canonical SMILES for N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane;phenylmethanamine is C.CC(C)(C)[Si](C)(C)n1cc(Br)c2cc(-c3cccc(F)c3)cnc21.CC(C)(C)[Si](C)(C)n1cc(C(=O)O)c2cc(-c3cccc(F)c3)cnc21.NCc1ccccc1.O=C(NCc1ccccc1)c1c[nH]c2ncc(-c3cccc(F)c3)cc12.

What is the InChIKey of N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane;phenylmethanamine?

The InChIKey is RPBLGTSJZXXVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O.C20H23FN2O2Si.C19H22BrFN2Si.C7H9N.CH4/c22-17-8-4-7-15(9-17)16-10-18-19(13-24-20(18)23-12-16)21(26)25-11-14-5-2-1-3-6-14;1-20(2,3)26(4,5)23-12-17(19(24)25)16-10-14(11-22-18(16)23)13-7-6-8-15(21)9-13;1-19(2,3)24(4,5)23-12-17(20)16-10-14(11-22-18(16)23)13-7-6-8-15(21)9-13;8-6-7-4-2-1-3-5-7;/h1-10,12-13H,11H2,(H,23,24)(H,25,26);6-12H,1-5H3,(H,24,25);6-12H,1-5H3;1-5H,6,8H2;1H4.

What are the key properties of N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane;phenylmethanamine?

N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane;phenylmethanamine has a molecular weight of 1244.46 g/mol, XLogP of 17.93, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane;phenylmethanamine is sourced from PubChem (CID 160688318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).