5-bromo-1H-pyrrolo[2,3-b]pyridine;2,4-difluoroaniline;methyl N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;methyl N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;methyl N-(2,4-difluoro-3-formylphenyl)carbamate;methyl N-(2,4-difluorophenyl)carbamate

C62H46Br3F10N11O11 — CID 158383584

About 5-bromo-1H-pyrrolo[2,3-b]pyridine;2,4-difluoroaniline;methyl N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;methyl N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;methyl N-(2,4-difluoro-3-formylphenyl)carbamate;methyl N-(2,4-difluorophenyl)carbamate

5-bromo-1H-pyrrolo[2,3-b]pyridine;2,4-difluoroaniline;methyl N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;methyl N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;methyl N-(2,4-difluoro-3-formylphenyl)carbamate;methyl N-(2,4-difluorophenyl)carbamate (PubChem CID 158383584) has the molecular formula C62H46Br3F10N11O11 and a molecular weight of 1550.81 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine;2,4-difluoroaniline;methyl N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;methyl N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;methyl N-(2,4-difluoro-3-formylphenyl)carbamate;methyl N-(2,4-difluorophenyl)carbamate.

Molecular Properties

• Compound Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;2,4-difluoroaniline;methyl N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;methyl N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;methyl N-(2,4-difluoro-3-formylphenyl)carbamate;methyl N-(2,4-difluorophenyl)carbamate
• PubChem CID: 158383584
• Molecular Formula: C62H46Br3F10N11O11
• Molecular Weight: 1550.81 g/mol
• Exact Mass: 1547.08
• IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;2,4-difluoroaniline;methyl N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;methyl N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;methyl N-(2,4-difluoro-3-formylphenyl)carbamate;methyl N-(2,4-difluorophenyl)carbamate
• SMILES: Brc1cnc2[nH]ccc2c1.COC(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1F.COC(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(Br)cc23)c1F.COC(=O)Nc1ccc(F)c(C=O)c1F.COC(=O)Nc1ccc(F)cc1F.Nc1ccc(F)cc1F
• InChI: InChI=1S/C16H12BrF2N3O3.C16H10BrF2N3O3.C9H7F2NO3.C8H7F2NO2.C7H5BrN2.C6H5F2N/c2*1-25-16(24)22-11-3-2-10(18)12(13(11)19)14(23)9-6-21-15-8(9)4-7(17)5-20-15;1-15-9(14)12-7-3-2-6(10)5(4-13)8(7)11;1-13-8(12)11-7-3-2-5(9)4-6(7)10;8-6-3-5-1-2-9-7(5)10-4-6;7-4-1-2-6(9)5(8)3-4/h2-6,14,23H,1H3,(H,20,21)(H,22,24);2-6H,1H3,(H,20,21)(H,22,24);2-4H,1H3,(H,12,14);2-4H,1H3,(H,11,12);1-4H,(H,9,10);1-3H,9H2
• InChIKey: GWCDPWRQWVCRAM-UHFFFAOYSA-N
• XLogP: 15.85
• TPSA: 319.75 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1550.81
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;2,4-difluoroaniline;methyl N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;methyl N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;methyl N-(2,4-difluoro-3-formylphenyl)carbamate;methyl N-(2,4-difluorophenyl)carbamate?

The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;2,4-difluoroaniline;methyl N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;methyl N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;methyl N-(2,4-difluoro-3-formylphenyl)carbamate;methyl N-(2,4-difluorophenyl)carbamate (CID 158383584) is 5-bromo-1H-pyrrolo[2,3-b]pyridine;2,4-difluoroaniline;methyl N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;methyl N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;methyl N-(2,4-difluoro-3-formylphenyl)carbamate;methyl N-(2,4-difluorophenyl)carbamate.

What is the SMILES notation for 5-bromo-1H-pyrrolo[2,3-b]pyridine;2,4-difluoroaniline;methyl N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;methyl N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;methyl N-(2,4-difluoro-3-formylphenyl)carbamate;methyl N-(2,4-difluorophenyl)carbamate?

The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine;2,4-difluoroaniline;methyl N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;methyl N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;methyl N-(2,4-difluoro-3-formylphenyl)carbamate;methyl N-(2,4-difluorophenyl)carbamate is Brc1cnc2[nH]ccc2c1.COC(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1F.COC(=O)Nc1ccc(F)c(C(O)c2c[nH]c3ncc(Br)cc23)c1F.COC(=O)Nc1ccc(F)c(C=O)c1F.COC(=O)Nc1ccc(F)cc1F.Nc1ccc(F)cc1F.

What is the InChIKey of 5-bromo-1H-pyrrolo[2,3-b]pyridine;2,4-difluoroaniline;methyl N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;methyl N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;methyl N-(2,4-difluoro-3-formylphenyl)carbamate;methyl N-(2,4-difluorophenyl)carbamate?

The InChIKey is GWCDPWRQWVCRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF2N3O3.C16H10BrF2N3O3.C9H7F2NO3.C8H7F2NO2.C7H5BrN2.C6H5F2N/c2*1-25-16(24)22-11-3-2-10(18)12(13(11)19)14(23)9-6-21-15-8(9)4-7(17)5-20-15;1-15-9(14)12-7-3-2-6(10)5(4-13)8(7)11;1-13-8(12)11-7-3-2-5(9)4-6(7)10;8-6-3-5-1-2-9-7(5)10-4-6;7-4-1-2-6(9)5(8)3-4/h2-6,14,23H,1H3,(H,20,21)(H,22,24);2-6H,1H3,(H,20,21)(H,22,24);2-4H,1H3,(H,12,14);2-4H,1H3,(H,11,12);1-4H,(H,9,10);1-3H,9H2.

What are the key properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine;2,4-difluoroaniline;methyl N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;methyl N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;methyl N-(2,4-difluoro-3-formylphenyl)carbamate;methyl N-(2,4-difluorophenyl)carbamate?

5-bromo-1H-pyrrolo[2,3-b]pyridine;2,4-difluoroaniline;methyl N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;methyl N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;methyl N-(2,4-difluoro-3-formylphenyl)carbamate;methyl N-(2,4-difluorophenyl)carbamate has a molecular weight of 1550.81 g/mol, XLogP of 15.85, 9 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-pyrrolo[2,3-b]pyridine;2,4-difluoroaniline;methyl N-[3-(5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]carbamate;methyl N-[3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-hydroxymethyl]-2,4-difluorophenyl]carbamate;methyl N-(2,4-difluoro-3-formylphenyl)carbamate;methyl N-(2,4-difluorophenyl)carbamate is sourced from PubChem (CID 158383584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).