6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide

C24H16BrN3O3 — CID 121149115

IUPAC6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCc1cccn2cc(-c3ccccc3NC(=O)c3cc4cc(Br)ccc4oc3=O)nc12
InChIInChI=1S/C24H16BrN3O3/c1-14-5-4-10-28-13-20(26-22(14)28)17-6-2-3-7-19(17)27-23(29)18-12-15-11-16(25)8-9-21(15)31-24(18)30/h2-13H,1H3,(H,27,29)
InChIKeyYGIRUWYPSUDMKF-UHFFFAOYSA-N
MW474.31 g/mol
LogP5.43
Rot. Bonds3

About 6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide

6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 121149115) has the molecular formula C24H16BrN3O3 and a molecular weight of 474.31 g/mol. Its IUPAC name is 6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID121149115
Molecular FormulaC24H16BrN3O3
Molecular Weight474.31 g/mol
Exact Mass473.04
IUPAC Name6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide
SMILESCc1cccn2cc(-c3ccccc3NC(=O)c3cc4cc(Br)ccc4oc3=O)nc12
InChIInChI=1S/C24H16BrN3O3/c1-14-5-4-10-28-13-20(26-22(14)28)17-6-2-3-7-19(17)27-23(29)18-12-15-11-16(25)8-9-21(15)31-24(18)30/h2-13H,1H3,(H,27,29)
InChIKeyYGIRUWYPSUDMKF-UHFFFAOYSA-N
XLogP5.43
TPSA76.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.31
LogP ≤ 55.43
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

6-bromo-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 1119394
2,5-dichloro-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121149101
6-chloro-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide
CID 2971776
6-bromo-N-(4-iodo-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 19171684
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-4-carboxamide
CID 121149153
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-oxochromene-3-carboxamide
CID 56786046
6-bromo-2-oxo-N-phenylchromene-3-carboxamide
CID 747661
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopropanecarboxamide
CID 121149066
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-phenoxybenzamide
CID 121149300
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 121149229
5-(furan-2-yl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 121149241
2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055758

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of 6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide (CID 121149115) is 6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide is Cc1cccn2cc(-c3ccccc3NC(=O)c3cc4cc(Br)ccc4oc3=O)nc12.
What is the InChIKey of 6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is YGIRUWYPSUDMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BrN3O3/c1-14-5-4-10-28-13-20(26-22(14)28)17-6-2-3-7-19(17)27-23(29)18-12-15-11-16(25)8-9-21(15)31-24(18)30/h2-13H,1H3,(H,27,29).
What are the key properties of 6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide?
6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 474.31 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 121149115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).