6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine

C14H21BrN4 — CID 106019882

IUPAC6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine
SMILESCCCCC(CCC)n1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C14H21BrN4/c1-3-5-7-11(6-4-2)19-13-12(18-14(19)16)8-10(15)9-17-13/h8-9,11H,3-7H2,1-2H3,(H2,16,18)
InChIKeySUWSHXQBEOSHDF-UHFFFAOYSA-N
MW325.25 g/mol
LogP4.31
Rot. Bonds6

About 6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine

6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine (PubChem CID 106019882) has the molecular formula C14H21BrN4 and a molecular weight of 325.25 g/mol. Its IUPAC name is 6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine
PubChem CID106019882
Molecular FormulaC14H21BrN4
Molecular Weight325.25 g/mol
Exact Mass324.09
IUPAC Name6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine
SMILESCCCCC(CCC)n1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C14H21BrN4/c1-3-5-7-11(6-4-2)19-13-12(18-14(19)16)8-10(15)9-17-13/h8-9,11H,3-7H2,1-2H3,(H2,16,18)
InChIKeySUWSHXQBEOSHDF-UHFFFAOYSA-N
XLogP4.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-3-(4-methylhexan-2-yl)imidazo[4,5-b]pyridin-2-amine
CID 79302089
6-bromo-3-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazo[4,5-b]pyridin-2-amine
CID 79302725
2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide
CID 79306274
1-octan-4-ylimidazo[4,5-c]pyridin-2-amine
CID 114137698
2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide
CID 106346315
6-bromo-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine
CID 79306856
6-bromo-2-(1-chloroethyl)-3-pentan-3-ylimidazo[4,5-b]pyridine
CID 79302304
6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79306425
6-bromo-3-[1-(2-fluorophenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79306497
6-bromo-3-(4-methylsulfanylbutyl)imidazo[4,5-b]pyridin-2-amine
CID 113487873
6-bromo-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 114101095
6-bromo-3-[3-(dimethylamino)propyl]imidazo[4,5-b]pyridin-2-amine
CID 79305894

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine (CID 106019882) is 6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine is CCCCC(CCC)n1c(N)nc2cc(Br)cnc21.
What is the InChIKey of 6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is SUWSHXQBEOSHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4/c1-3-5-7-11(6-4-2)19-13-12(18-14(19)16)8-10(15)9-17-13/h8-9,11H,3-7H2,1-2H3,(H2,16,18).
What are the key properties of 6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine?
6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 325.25 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-octan-4-ylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 106019882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).