5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine

C14H13N3S — CID 71967885

IUPAC5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cccc2nc(CSc3ccncc3)cn12
InChIInChI=1S/C14H13N3S/c1-11-3-2-4-14-16-12(9-17(11)14)10-18-13-5-7-15-8-6-13/h2-9H,10H2,1H3
InChIKeyPYFPCCOVICTODS-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.33
Rot. Bonds3

About 5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine

5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 71967885) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID71967885
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESCc1cccc2nc(CSc3ccncc3)cn12
InChIInChI=1S/C14H13N3S/c1-11-3-2-4-14-16-12(9-17(11)14)10-18-13-5-7-15-8-6-13/h2-9H,10H2,1H3
InChIKeyPYFPCCOVICTODS-UHFFFAOYSA-N
XLogP3.33
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 71967885) is 5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine is Cc1cccc2nc(CSc3ccncc3)cn12.
What is the InChIKey of 5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is PYFPCCOVICTODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-11-3-2-4-14-16-12(9-17(11)14)10-18-13-5-7-15-8-6-13/h2-9H,10H2,1H3.
What are the key properties of 5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine?
5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 255.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(pyridin-4-ylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 71967885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).