6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine

C11H15BrN4S — CID 113487873

IUPAC6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine
SMILESCSCCCCn1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C11H15BrN4S/c1-17-5-3-2-4-16-10-9(15-11(16)13)6-8(12)7-14-10/h6-7H,2-5H2,1H3,(H2,13,15)
InChIKeyGAKSUJIKPJXPPZ-UHFFFAOYSA-N
MW315.24 g/mol
LogP2.92
Rot. Bonds5

About 6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine

6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 113487873) has the molecular formula C11H15BrN4S and a molecular weight of 315.24 g/mol. Its IUPAC name is 6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID113487873
Molecular FormulaC11H15BrN4S
Molecular Weight315.24 g/mol
Exact Mass314.02
IUPAC Name6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine
SMILESCSCCCCn1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C11H15BrN4S/c1-17-5-3-2-4-16-10-9(15-11(16)13)6-8(12)7-14-10/h6-7H,2-5H2,1H3,(H2,13,15)
InChIKeyGAKSUJIKPJXPPZ-UHFFFAOYSA-N
XLogP2.92
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine
CID 79305894
6-bromo-3-(3-phenoxypropyl)imidazo[4,5-b]pyridin-2-amine
CID 79279143
6-bromo-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 79306856
6-bromo-5-fluoro-1-(4-methylsulfanylbutyl)benzimidazol-2-amine
CID 116738528
6-bromo-3-[(1-methylpyrazol-4-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79306206
6-bromo-3-[(1-methylimidazol-2-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79306721
6-bromo-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 106419770
6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79306336
6-bromo-3-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79306867
3-(6-bromo-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)propan-1-amine
CID 82061806
6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 114101095
6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79306561

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine (CID 113487873) is 6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine is CSCCCCn1c(N)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is GAKSUJIKPJXPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4S/c1-17-5-3-2-4-16-10-9(15-11(16)13)6-8(12)7-14-10/h6-7H,2-5H2,1H3,(H2,13,15).
What are the key properties of 6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 315.24 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 113487873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).