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

C23H21BrN2 — CID 67758242

IUPAC2-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc(-c2ccccc2)c2cc(-c3ccc(C(C)C)cc3Br)[nH]c2n1
InChIInChI=1S/C23H21BrN2/c1-14(2)17-9-10-18(21(24)12-17)22-13-20-19(16-7-5-4-6-8-16)11-15(3)25-23(20)26-22/h4-14H,1-3H3,(H,25,26)
InChIKeyUIALSJKOJPQYIV-UHFFFAOYSA-N
MW405.34 g/mol
LogP7.09
Rot. Bonds3

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

2-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 67758242) has the molecular formula C23H21BrN2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 2-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID67758242
Molecular FormulaC23H21BrN2
Molecular Weight405.34 g/mol
Exact Mass404.09
IUPAC Name2-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc(-c2ccccc2)c2cc(-c3ccc(C(C)C)cc3Br)[nH]c2n1
InChIInChI=1S/C23H21BrN2/c1-14(2)17-9-10-18(21(24)12-17)22-13-20-19(16-7-5-4-6-8-16)11-15(3)25-23(20)26-22/h4-14H,1-3H3,(H,25,26)
InChIKeyUIALSJKOJPQYIV-UHFFFAOYSA-N
XLogP7.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.34
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 67758242) is 2-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridine is Cc1cc(-c2ccccc2)c2cc(-c3ccc(C(C)C)cc3Br)[nH]c2n1.
What is the InChIKey of 2-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UIALSJKOJPQYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2/c1-14(2)17-9-10-18(21(24)12-17)22-13-20-19(16-7-5-4-6-8-16)11-15(3)25-23(20)26-22/h4-14H,1-3H3,(H,25,26).
What are the key properties of 2-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridine?
2-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 405.34 g/mol, XLogP of 7.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propan-2-ylphenyl)-6-methyl-4-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67758242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).