5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine

C11H16N4OS — CID 115322427

IUPAC5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc2nc(N)n(CCCSC)c2n1
InChIInChI=1S/C11H16N4OS/c1-16-9-5-4-8-10(14-9)15(11(12)13-8)6-3-7-17-2/h4-5H,3,6-7H2,1-2H3,(H2,12,13)
InChIKeyCJCSEHMYGVGQOW-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.78
Rot. Bonds5

About 5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine

5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 115322427) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID115322427
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine
SMILESCOc1ccc2nc(N)n(CCCSC)c2n1
InChIInChI=1S/C11H16N4OS/c1-16-9-5-4-8-10(14-9)15(11(12)13-8)6-3-7-17-2/h4-5H,3,6-7H2,1-2H3,(H2,12,13)
InChIKeyCJCSEHMYGVGQOW-UHFFFAOYSA-N
XLogP1.78
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.78
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

3-[2-(dimethylamino)ethyl]-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322083
ethyl 4-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)butanoate
CID 115322446
5-methoxy-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 115322400
5-methoxy-3-(2-methoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 102699356
N-[2-(2-amino-5-methoxyimidazo[4,5-b]pyridin-3-yl)ethyl]methanesulfonamide
CID 115322213
5-methoxy-3-[2-(1-methylpyrazol-3-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 106105695
3-(3-ethylsulfanylpropyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 114248495
5-methoxy-3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 115322294
3-(cyclohexylmethyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322201
3-[(2-ethylphenyl)methyl]-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 115322450
3-(2-ethylhexyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 107816979
5-methoxy-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 115322105

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine (CID 115322427) is 5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine is COc1ccc2nc(N)n(CCCSC)c2n1.
What is the InChIKey of 5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is CJCSEHMYGVGQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-16-9-5-4-8-10(14-9)15(11(12)13-8)6-3-7-17-2/h4-5H,3,6-7H2,1-2H3,(H2,12,13).
What are the key properties of 5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine?
5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 252.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 115322427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).