1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine

C23H21BrN2 — CID 10787443

IUPAC1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine
SMILESCc1cc(-c2ccccc2)c2ccn(-c3ccc(C(C)C)cc3Br)c2n1
InChIInChI=1S/C23H21BrN2/c1-15(2)18-9-10-22(21(24)14-18)26-12-11-19-20(13-16(3)25-23(19)26)17-7-5-4-6-8-17/h4-15H,1-3H3
InChIKeyNIQBQCGMLBLOAL-UHFFFAOYSA-N
MW405.34 g/mol
LogP6.89
Rot. Bonds3

About 1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine

1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine (PubChem CID 10787443) has the molecular formula C23H21BrN2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine
PubChem CID10787443
Molecular FormulaC23H21BrN2
Molecular Weight405.34 g/mol
Exact Mass404.09
IUPAC Name1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine
SMILESCc1cc(-c2ccccc2)c2ccn(-c3ccc(C(C)C)cc3Br)c2n1
InChIInChI=1S/C23H21BrN2/c1-15(2)18-9-10-22(21(24)14-18)26-12-11-19-20(13-16(3)25-23(19)26)17-7-5-4-6-8-17/h4-15H,1-3H3
InChIKeyNIQBQCGMLBLOAL-UHFFFAOYSA-N
XLogP6.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.34
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[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 1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine (CID 10787443) is 1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine is Cc1cc(-c2ccccc2)c2ccn(-c3ccc(C(C)C)cc3Br)c2n1.
What is the InChIKey of 1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine?
The InChIKey is NIQBQCGMLBLOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2/c1-15(2)18-9-10-22(21(24)14-18)26-12-11-19-20(13-16(3)25-23(19)26)17-7-5-4-6-8-17/h4-15H,1-3H3.
What are the key properties of 1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine?
1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine has a molecular weight of 405.34 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10787443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).