3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine

C15H13ClN6S — CID 40569985

IUPAC3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCc1cc(C)n2c(SCc3cn4cc(Cl)ccc4n3)nnc2n1
InChIInChI=1S/C15H13ClN6S/c1-9-5-10(2)22-14(17-9)19-20-15(22)23-8-12-7-21-6-11(16)3-4-13(21)18-12/h3-7H,8H2,1-2H3
InChIKeyLYCGRDDPRHGVDP-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.33
Rot. Bonds3

About 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine

3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 40569985) has the molecular formula C15H13ClN6S and a molecular weight of 344.83 g/mol. Its IUPAC name is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID40569985
Molecular FormulaC15H13ClN6S
Molecular Weight344.83 g/mol
Exact Mass344.06
IUPAC Name3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCc1cc(C)n2c(SCc3cn4cc(Cl)ccc4n3)nnc2n1
InChIInChI=1S/C15H13ClN6S/c1-9-5-10(2)22-14(17-9)19-20-15(22)23-8-12-7-21-6-11(16)3-4-13(21)18-12/h3-7H,8H2,1-2H3
InChIKeyLYCGRDDPRHGVDP-UHFFFAOYSA-N
XLogP3.33
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 40524762
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5-(2-chlorophenyl)-1,2,4-triazol-4-amine
CID 84601588
4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 7830040
6-chloro-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 4858868
6-chloro-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 40583645
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 46795169
6-chloro-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 31713133
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 4828062
6-chloro-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 41423773
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethyl-trimethylsilane
CID 165473185
4-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 8747825
6-chloro-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17398686

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine (CID 40569985) is 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine is Cc1cc(C)n2c(SCc3cn4cc(Cl)ccc4n3)nnc2n1.
What is the InChIKey of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is LYCGRDDPRHGVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6S/c1-9-5-10(2)22-14(17-9)19-20-15(22)23-8-12-7-21-6-11(16)3-4-13(21)18-12/h3-7H,8H2,1-2H3.
What are the key properties of 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine?
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 344.83 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 40569985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).