4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide

C18H12BrN3OS — CID 122284100

IUPAC4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cc(Br)cs1
InChIInChI=1S/C18H12BrN3OS/c19-13-9-16(24-11-13)18(23)20-14-6-4-12(5-7-14)15-10-22-8-2-1-3-17(22)21-15/h1-11H,(H,20,23)
InChIKeyVEIZMRQDYCAUSO-UHFFFAOYSA-N
MW398.29 g/mol
LogP5.08
Rot. Bonds3

About 4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide

4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide (PubChem CID 122284100) has the molecular formula C18H12BrN3OS and a molecular weight of 398.29 g/mol. Its IUPAC name is 4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
PubChem CID122284100
Molecular FormulaC18H12BrN3OS
Molecular Weight398.29 g/mol
Exact Mass396.99
IUPAC Name4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cc(Br)cs1
InChIInChI=1S/C18H12BrN3OS/c19-13-9-16(24-11-13)18(23)20-14-6-4-12(5-7-14)15-10-22-8-2-1-3-17(22)21-15/h1-11H,(H,20,23)
InChIKeyVEIZMRQDYCAUSO-UHFFFAOYSA-N
XLogP5.08
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.29
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide (CID 122284100) is 4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide is O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide?
The InChIKey is VEIZMRQDYCAUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3OS/c19-13-9-16(24-11-13)18(23)20-14-6-4-12(5-7-14)15-10-22-8-2-1-3-17(22)21-15/h1-11H,(H,20,23).
What are the key properties of 4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide?
4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide has a molecular weight of 398.29 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 122284100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).