4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile

C17H16N4S — CID 6710561

IUPAC4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCc2cn3c(C)cccc3n2)n1
InChIInChI=1S/C17H16N4S/c1-11-7-12(2)19-17(15(11)8-18)22-10-14-9-21-13(3)5-4-6-16(21)20-14/h4-7,9H,10H2,1-3H3
InChIKeyVOVPUWMINHSECZ-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.82
Rot. Bonds3

About 4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile

4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile (PubChem CID 6710561) has the molecular formula C17H16N4S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile
PubChem CID6710561
Molecular FormulaC17H16N4S
Molecular Weight308.41 g/mol
Exact Mass308.11
IUPAC Name4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCc2cn3c(C)cccc3n2)n1
InChIInChI=1S/C17H16N4S/c1-11-7-12(2)19-17(15(11)8-18)22-10-14-9-21-13(3)5-4-6-16(21)20-14/h4-7,9H,10H2,1-3H3
InChIKeyVOVPUWMINHSECZ-UHFFFAOYSA-N
XLogP3.82
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile (CID 6710561) is 4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(SCc2cn3c(C)cccc3n2)n1.
What is the InChIKey of 4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile?
The InChIKey is VOVPUWMINHSECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S/c1-11-7-12(2)19-17(15(11)8-18)22-10-14-9-21-13(3)5-4-6-16(21)20-14/h4-7,9H,10H2,1-3H3.
What are the key properties of 4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile?
4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile has a molecular weight of 308.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 6710561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).