3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C25H17FN2O — CID 59812034

IUPAC3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccccc1-c1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12
InChIInChI=1S/C25H17FN2O/c26-23-12-6-4-11-20(23)22-16-28-25-21(22)14-17(15-27-25)19-10-5-7-13-24(19)29-18-8-2-1-3-9-18/h1-16H,(H,27,28)
InChIKeyPMLJRRUDEXJHBM-UHFFFAOYSA-N
MW380.42 g/mol
LogP6.83
Rot. Bonds4

About 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59812034) has the molecular formula C25H17FN2O and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59812034
Molecular FormulaC25H17FN2O
Molecular Weight380.42 g/mol
Exact Mass380.13
IUPAC Name3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccccc1-c1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12
InChIInChI=1S/C25H17FN2O/c26-23-12-6-4-11-20(23)22-16-28-25-21(22)14-17(15-27-25)19-10-5-7-13-24(19)29-18-8-2-1-3-9-18/h1-16H,(H,27,28)
InChIKeyPMLJRRUDEXJHBM-UHFFFAOYSA-N
XLogP6.83
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 59812034) is 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is Fc1ccccc1-c1c[nH]c2ncc(-c3ccccc3Oc3ccccc3)cc12.
What is the InChIKey of 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PMLJRRUDEXJHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O/c26-23-12-6-4-11-20(23)22-16-28-25-21(22)14-17(15-27-25)19-10-5-7-13-24(19)29-18-8-2-1-3-9-18/h1-16H,(H,27,28).
What are the key properties of 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 380.42 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59812034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).