N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide

C16H13Br2N3OS — CID 32508700

IUPACN-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
SMILESCc1cc(Br)c(NC(=O)CSc2ncc3ccccn23)c(Br)c1
InChIInChI=1S/C16H13Br2N3OS/c1-10-6-12(17)15(13(18)7-10)20-14(22)9-23-16-19-8-11-4-2-3-5-21(11)16/h2-8H,9H2,1H3,(H,20,22)
InChIKeyRMPZZPXPWJLKNB-UHFFFAOYSA-N
MW455.18 g/mol
LogP4.90
Rot. Bonds4

About N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide

N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide (PubChem CID 32508700) has the molecular formula C16H13Br2N3OS and a molecular weight of 455.18 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
PubChem CID32508700
Molecular FormulaC16H13Br2N3OS
Molecular Weight455.18 g/mol
Exact Mass452.91
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
SMILESCc1cc(Br)c(NC(=O)CSc2ncc3ccccn23)c(Br)c1
InChIInChI=1S/C16H13Br2N3OS/c1-10-6-12(17)15(13(18)7-10)20-14(22)9-23-16-19-8-11-4-2-3-5-21(11)16/h2-8H,9H2,1H3,(H,20,22)
InChIKeyRMPZZPXPWJLKNB-UHFFFAOYSA-N
XLogP4.90
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.18
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 17439635
N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 31662305
N,N-diethyl-4-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]benzamide
CID 31662428
N-(2,6-dibromo-4-methylphenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3535817
2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 3713541
3-[(3,5-dimethylphenyl)methylsulfanyl]imidazo[1,5-a]pyridine
CID 47096267
2-[(5-chloro-2-pyridinyl)sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 112815585
N-(2,6-dibromo-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2388271
2-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]-N-propan-2-ylbenzamide
CID 36982823
N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 78765671
N-(2,6-dibromo-4-methylphenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 35659472
N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 31709417

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide (CID 32508700) is N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide is Cc1cc(Br)c(NC(=O)CSc2ncc3ccccn23)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The InChIKey is RMPZZPXPWJLKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Br2N3OS/c1-10-6-12(17)15(13(18)7-10)20-14(22)9-23-16-19-8-11-4-2-3-5-21(11)16/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide has a molecular weight of 455.18 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide is sourced from PubChem (CID 32508700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).