3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide

C16H13BrClN3O — CID 110630921

IUPAC3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide
SMILESO=C(NCCc1ncc2ccccn12)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C16H13BrClN3O/c17-13-9-11(4-5-14(13)18)16(22)19-7-6-15-20-10-12-3-1-2-8-21(12)15/h1-5,8-10H,6-7H2,(H,19,22)
InChIKeyWRERIIPLWKXRDV-UHFFFAOYSA-N
MW378.66 g/mol
LogP3.72
Rot. Bonds4

About 3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide

3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide (PubChem CID 110630921) has the molecular formula C16H13BrClN3O and a molecular weight of 378.66 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide
PubChem CID110630921
Molecular FormulaC16H13BrClN3O
Molecular Weight378.66 g/mol
Exact Mass376.99
IUPAC Name3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide
SMILESO=C(NCCc1ncc2ccccn12)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C16H13BrClN3O/c17-13-9-11(4-5-14(13)18)16(22)19-7-6-15-20-10-12-3-1-2-8-21(12)15/h1-5,8-10H,6-7H2,(H,19,22)
InChIKeyWRERIIPLWKXRDV-UHFFFAOYSA-N
XLogP3.72
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.66
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 110630880
4-(dimethylsulfamoyl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide
CID 112500596
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-3-pyrrol-1-ylbenzamide
CID 110309684
4-(2-chlorophenyl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-oxobutanamide
CID 110630905
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-4-methoxy-3-phenylbenzamide
CID 110630969
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-methyl-3-phenylpentanamide
CID 110313770
3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113329947
6-chloro-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474315
2-chloro-6-fluoro-N-(imidazo[1,5-a]pyridin-3-ylmethyl)benzamide
CID 112500579
2-(dimethylamino)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-2-phenylacetamide
CID 110630830
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110630869
4-chloro-3-methylsulfonyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 134014260

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide (CID 110630921) is 3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide is O=C(NCCc1ncc2ccccn12)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide?
The InChIKey is WRERIIPLWKXRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN3O/c17-13-9-11(4-5-14(13)18)16(22)19-7-6-15-20-10-12-3-1-2-8-21(12)15/h1-5,8-10H,6-7H2,(H,19,22).
What are the key properties of 3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide?
3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide has a molecular weight of 378.66 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 110630921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).