3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine

C13H13ClN4S — CID 106036057

IUPAC3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2CCc1ccc(Cl)s1
InChIInChI=1S/C13H13ClN4S/c1-8-4-6-16-12-11(8)17-13(15)18(12)7-5-9-2-3-10(14)19-9/h2-4,6H,5,7H2,1H3,(H2,15,17)
InChIKeyZCCOXVCMVRYKKC-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.28
Rot. Bonds3

About 3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine

3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 106036057) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
PubChem CID106036057
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
SMILESCc1ccnc2c1nc(N)n2CCc1ccc(Cl)s1
InChIInChI=1S/C13H13ClN4S/c1-8-4-6-16-12-11(8)17-13(15)18(12)7-5-9-2-3-10(14)19-9/h2-4,6H,5,7H2,1H3,(H2,15,17)
InChIKeyZCCOXVCMVRYKKC-UHFFFAOYSA-N
XLogP3.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine (CID 106036057) is 3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine is Cc1ccnc2c1nc(N)n2CCc1ccc(Cl)s1.
What is the InChIKey of 3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is ZCCOXVCMVRYKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-8-4-6-16-12-11(8)17-13(15)18(12)7-5-9-2-3-10(14)19-9/h2-4,6H,5,7H2,1H3,(H2,15,17).
What are the key properties of 3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine?
3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 292.80 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chlorothiophen-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 106036057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).