3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine

C13H13ClN4S — CID 79301830

IUPAC3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2C(C)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN4S/c1-7-5-9-12(16-6-7)18(13(15)17-9)8(2)10-3-4-11(14)19-10/h3-6,8H,1-2H3,(H2,15,17)
InChIKeyAHIYKGANHHBTIS-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.65
Rot. Bonds2

About 3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine

3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79301830) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID79301830
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1cnc2c(c1)nc(N)n2C(C)c1ccc(Cl)s1
InChIInChI=1S/C13H13ClN4S/c1-7-5-9-12(16-6-7)18(13(15)17-9)8(2)10-3-4-11(14)19-10/h3-6,8H,1-2H3,(H2,15,17)
InChIKeyAHIYKGANHHBTIS-UHFFFAOYSA-N
XLogP3.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79301690
6-methyl-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine
CID 79300915
6-methyl-3-(4-methylpentan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79301756
1-[1-(5-chlorothiophen-2-yl)ethyl]-6,7-difluorobenzimidazol-2-amine
CID 62532578
6-methyl-3-(6-methylheptan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79300973
1-[1-(5-chlorothiophen-2-yl)ethyl]-4-methylimidazol-2-amine
CID 106564555
3-(4-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301249
3-[1-(dimethylamino)-4-methylpentan-2-yl]-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301405
6-methyl-3-[1-(oxolan-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79301180
5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
CID 66076960
3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301841
6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79280689

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine (CID 79301830) is 3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine is Cc1cnc2c(c1)nc(N)n2C(C)c1ccc(Cl)s1.
What is the InChIKey of 3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is AHIYKGANHHBTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-7-5-9-12(16-6-7)18(13(15)17-9)8(2)10-3-4-11(14)19-10/h3-6,8H,1-2H3,(H2,15,17).
What are the key properties of 3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine?
3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 292.80 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-2-yl)ethyl]-6-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79301830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).