1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine

C26H19FN2 — CID 101004029

IUPAC1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2c(-c3ccccc3)c3cccnc3n2Cc2ccccc2)cc1
InChIInChI=1S/C26H19FN2/c27-22-15-13-21(14-16-22)25-24(20-10-5-2-6-11-20)23-12-7-17-28-26(23)29(25)18-19-8-3-1-4-9-19/h1-17H,18H2
InChIKeyNGAXIRSAHVDUQN-UHFFFAOYSA-N
MW378.45 g/mol
LogP6.56
Rot. Bonds4

About 1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine

1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine (PubChem CID 101004029) has the molecular formula C26H19FN2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine
PubChem CID101004029
Molecular FormulaC26H19FN2
Molecular Weight378.45 g/mol
Exact Mass378.15
IUPAC Name1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2c(-c3ccccc3)c3cccnc3n2Cc2ccccc2)cc1
InChIInChI=1S/C26H19FN2/c27-22-15-13-21(14-16-22)25-24(20-10-5-2-6-11-20)23-12-7-17-28-26(23)29(25)18-19-8-3-1-4-9-19/h1-17H,18H2
InChIKeyNGAXIRSAHVDUQN-UHFFFAOYSA-N
XLogP6.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine (CID 101004029) is 1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine is Fc1ccc(-c2c(-c3ccccc3)c3cccnc3n2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine?
The InChIKey is NGAXIRSAHVDUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN2/c27-22-15-13-21(14-16-22)25-24(20-10-5-2-6-11-20)23-12-7-17-28-26(23)29(25)18-19-8-3-1-4-9-19/h1-17H,18H2.
What are the key properties of 1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine?
1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine has a molecular weight of 378.45 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4-fluorophenyl)-3-phenylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 101004029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).