6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine

C19H18BrN5S — CID 44547219

IUPAC6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2nc(SCc3nc(-c4ccccc4)cn3C)nn2c(C)c1Br
InChIInChI=1S/C19H18BrN5S/c1-12-9-16-22-19(23-25(16)13(2)18(12)20)26-11-17-21-15(10-24(17)3)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3
InChIKeyUMJLJKVSYVIDMN-UHFFFAOYSA-N
MW428.36 g/mol
LogP4.80
Rot. Bonds4

About 6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine

6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 44547219) has the molecular formula C19H18BrN5S and a molecular weight of 428.36 g/mol. Its IUPAC name is 6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID44547219
Molecular FormulaC19H18BrN5S
Molecular Weight428.36 g/mol
Exact Mass427.05
IUPAC Name6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc2nc(SCc3nc(-c4ccccc4)cn3C)nn2c(C)c1Br
InChIInChI=1S/C19H18BrN5S/c1-12-9-16-22-19(23-25(16)13(2)18(12)20)26-11-17-21-15(10-24(17)3)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3
InChIKeyUMJLJKVSYVIDMN-UHFFFAOYSA-N
XLogP4.80
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 44547219) is 6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc2nc(SCc3nc(-c4ccccc4)cn3C)nn2c(C)c1Br.
What is the InChIKey of 6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is UMJLJKVSYVIDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN5S/c1-12-9-16-22-19(23-25(16)13(2)18(12)20)26-11-17-21-15(10-24(17)3)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3.
What are the key properties of 6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine?
6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 428.36 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,7-dimethyl-2-[(1-methyl-4-phenylimidazol-2-yl)methylsulfanyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 44547219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).