3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile

C15H14N4S — CID 154751522

IUPAC3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCN(Cc1ccsc1)Cc1cnc2ccc(C#N)cn12
InChIInChI=1S/C15H14N4S/c1-18(8-13-4-5-20-11-13)10-14-7-17-15-3-2-12(6-16)9-19(14)15/h2-5,7,9,11H,8,10H2,1H3
InChIKeyCDLIAEMPXLYZGD-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.90
Rot. Bonds4

About 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile

3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 154751522) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID154751522
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCN(Cc1ccsc1)Cc1cnc2ccc(C#N)cn12
InChIInChI=1S/C15H14N4S/c1-18(8-13-4-5-20-11-13)10-14-7-17-15-3-2-12(6-16)9-19(14)15/h2-5,7,9,11H,8,10H2,1H3
InChIKeyCDLIAEMPXLYZGD-UHFFFAOYSA-N
XLogP2.90
TPSA44.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile (CID 154751522) is 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is CN(Cc1ccsc1)Cc1cnc2ccc(C#N)cn12.
What is the InChIKey of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is CDLIAEMPXLYZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-18(8-13-4-5-20-11-13)10-14-7-17-15-3-2-12(6-16)9-19(14)15/h2-5,7,9,11H,8,10H2,1H3.
What are the key properties of 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile?
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 282.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(thiophen-3-ylmethyl)amino]methyl]imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 154751522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).