5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine

C34H23F3N6 — CID 161416992

About 5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine

5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 161416992) has the molecular formula C34H23F3N6 and a molecular weight of 572.59 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 161416992
• Molecular Formula: C34H23F3N6
• Molecular Weight: 572.59 g/mol
• Exact Mass: 572.19
• IUPAC Name: 5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: Fc1ccc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)c(F)c1.Fc1ccccc1-c1cnc2[nH]cc(-c3cc[nH]c3)c2c1
• InChI: InChI=1S/C17H11F2N3.C17H12FN3/c18-12-1-2-13(16(19)6-12)11-5-14-15(10-3-4-20-7-10)9-22-17(14)21-8-11;18-16-4-2-1-3-13(16)12-7-14-15(11-5-6-19-8-11)10-21-17(14)20-9-12/h1-9,20H,(H,21,22);1-10,19H,(H,20,21)
• InChIKey: VWFFIXYJTFPMJH-UHFFFAOYSA-N
• XLogP: 8.87
• TPSA: 88.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.59
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine (CID 161416992) is 5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(-c2cnc3[nH]cc(-c4cc[nH]c4)c3c2)c(F)c1.Fc1ccccc1-c1cnc2[nH]cc(-c3cc[nH]c3)c2c1.

What is the InChIKey of 5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is VWFFIXYJTFPMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3.C17H12FN3/c18-12-1-2-13(16(19)6-12)11-5-14-15(10-3-4-20-7-10)9-22-17(14)21-8-11;18-16-4-2-1-3-13(16)12-7-14-15(11-5-6-19-8-11)10-21-17(14)20-9-12/h1-9,20H,(H,21,22);1-10,19H,(H,20,21).

What are the key properties of 5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine?

5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 572.59 g/mol, XLogP of 8.87, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,4-difluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2-fluorophenyl)-3-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161416992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).