N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide

C16H11ClN4OS — CID 78765671

IUPACN-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CSc1ncc2ccccn12
InChIInChI=1S/C16H11ClN4OS/c17-12-5-4-11(8-18)14(7-12)20-15(22)10-23-16-19-9-13-3-1-2-6-21(13)16/h1-7,9H,10H2,(H,20,22)
InChIKeySZNDWIQOPMRFQU-UHFFFAOYSA-N
MW342.81 g/mol
LogP3.59
Rot. Bonds4

About N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide

N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide (PubChem CID 78765671) has the molecular formula C16H11ClN4OS and a molecular weight of 342.81 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
PubChem CID78765671
Molecular FormulaC16H11ClN4OS
Molecular Weight342.81 g/mol
Exact Mass342.03
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CSc1ncc2ccccn12
InChIInChI=1S/C16H11ClN4OS/c17-12-5-4-11(8-18)14(7-12)20-15(22)10-23-16-19-9-13-3-1-2-6-21(13)16/h1-7,9H,10H2,(H,20,22)
InChIKeySZNDWIQOPMRFQU-UHFFFAOYSA-N
XLogP3.59
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 31662305
N-(4-chloro-2-nitrophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 31709417
N-(5-chloro-2-cyanophenyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylacetamide
CID 3939982
N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755226
N-(5-chloro-2-cyanophenyl)-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 134025568
N-(5-chloro-2-cyanophenyl)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8722919
N-(4-bromo-2-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 17439635
N-(5-chloro-2-cyanophenyl)-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78769428
N-(5-chloro-2-cyanophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 21382912
N-(5-chloro-2-cyanophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 21383075
N-(2,6-dibromo-4-methylphenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide
CID 32508700
2-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]-N-propan-2-ylbenzamide
CID 36982823

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide (CID 78765671) is N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide is N#Cc1ccc(Cl)cc1NC(=O)CSc1ncc2ccccn12.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
The InChIKey is SZNDWIQOPMRFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4OS/c17-12-5-4-11(8-18)14(7-12)20-15(22)10-23-16-19-9-13-3-1-2-6-21(13)16/h1-7,9H,10H2,(H,20,22).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide?
N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide has a molecular weight of 342.81 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylacetamide is sourced from PubChem (CID 78765671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).