2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine

C15H18N4OS — CID 82143979

IUPAC2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
SMILESCc1cnc2c(c1)nc(-c1cccs1)n2CCOCCN
InChIInChI=1S/C15H18N4OS/c1-11-9-12-14(17-10-11)19(5-7-20-6-4-16)15(18-12)13-3-2-8-21-13/h2-3,8-10H,4-7,16H2,1H3
InChIKeyIPFFNGXFMXNTRQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.44
Rot. Bonds6

About 2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine

2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine (PubChem CID 82143979) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
PubChem CID82143979
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
SMILESCc1cnc2c(c1)nc(-c1cccs1)n2CCOCCN
InChIInChI=1S/C15H18N4OS/c1-11-9-12-14(17-10-11)19(5-7-20-6-4-16)15(18-12)13-3-2-8-21-13/h2-3,8-10H,4-7,16H2,1H3
InChIKeyIPFFNGXFMXNTRQ-UHFFFAOYSA-N
XLogP2.44
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine
CID 82143988
3-(6-methyl-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061571
1-[2-(3-methylphenoxy)ethyl]-2-thiophen-2-ylbenzimidazole
CID 17000282
2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79301361
3-[6-methyl-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propanethioamide
CID 94757870
6-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-2-amine
CID 79301336
3-[6-methyl-2-(3-phenoxypropyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 145420127
3-[2-(3-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82061556
3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine
CID 82146177
2-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 82061603
1-[3-(2,4-dimethylphenoxy)propyl]-2-thiophen-2-ylbenzimidazole
CID 17000296
2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82145196

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine (CID 82143979) is 2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine is Cc1cnc2c(c1)nc(-c1cccs1)n2CCOCCN.
What is the InChIKey of 2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine?
The InChIKey is IPFFNGXFMXNTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-9-12-14(17-10-11)19(5-7-20-6-4-16)15(18-12)13-3-2-8-21-13/h2-3,8-10H,4-7,16H2,1H3.
What are the key properties of 2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine?
2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine has a molecular weight of 302.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methyl-2-thiophen-2-ylimidazo[4,5-b]pyridin-3-yl)ethoxy]ethanamine is sourced from PubChem (CID 82143979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).