6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide

C23H13Br2N3O3 — CID 3753129

IUPAC6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cc2cc(Br)cc(Br)c2oc1=O
InChIInChI=1S/C23H13Br2N3O3/c24-15-8-14-10-17(23(30)31-21(14)18(25)11-15)22(29)26-16-5-3-4-13(9-16)19-12-28-7-2-1-6-20(28)27-19/h1-12H,(H,26,29)
InChIKeyLCNZPCWUXPZYAM-UHFFFAOYSA-N
MW539.18 g/mol
LogP5.89
Rot. Bonds3

About 6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide

6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide (PubChem CID 3753129) has the molecular formula C23H13Br2N3O3 and a molecular weight of 539.18 g/mol. Its IUPAC name is 6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide
PubChem CID3753129
Molecular FormulaC23H13Br2N3O3
Molecular Weight539.18 g/mol
Exact Mass536.93
IUPAC Name6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide
SMILESO=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cc2cc(Br)cc(Br)c2oc1=O
InChIInChI=1S/C23H13Br2N3O3/c24-15-8-14-10-17(23(30)31-21(14)18(25)11-15)22(29)26-16-5-3-4-13(9-16)19-12-28-7-2-1-6-20(28)27-19/h1-12H,(H,26,29)
InChIKeyLCNZPCWUXPZYAM-UHFFFAOYSA-N
XLogP5.89
TPSA76.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.18
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6,8-dibromo-2-oxochromene-3-carboxamide
CID 43991325
2-bromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-5-methoxybenzamide
CID 122283422
6,8-dibromo-N-(3-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 1111870
3,4-difluoro-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 122283315
2-bromo-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide
CID 3763346
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide
CID 877528
6,8-dibromo-N-(4-chlorophenyl)-2-oxochromene-3-carboxamide
CID 1111841
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzothiazole-6-carboxamide
CID 122283330
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-3-methylbutanamide
CID 845423
N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-pyrimidin-2-yloxyacetamide
CID 121086799
6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 2971776
1-(3-fluoro-4-methylphenyl)-3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)urea
CID 121090060

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide?
The IUPAC name of 6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide (CID 3753129) is 6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for 6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide is O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cc2cc(Br)cc(Br)c2oc1=O.
What is the InChIKey of 6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide?
The InChIKey is LCNZPCWUXPZYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Br2N3O3/c24-15-8-14-10-17(23(30)31-21(14)18(25)11-15)22(29)26-16-5-3-4-13(9-16)19-12-28-7-2-1-6-20(28)27-19/h1-12H,(H,26,29).
What are the key properties of 6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide?
6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide has a molecular weight of 539.18 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 3753129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).