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

C13H17BrN4 — CID 79302513

IUPAC6-bromo-3-(2,3-dimethylcyclopentyl)imidazo[4,5-b]pyridin-2-amine
SMILESCC1CCC(n2c(N)nc3cc(Br)cnc32)C1C
InChIInChI=1S/C13H17BrN4/c1-7-3-4-11(8(7)2)18-12-10(17-13(18)15)5-9(14)6-16-12/h5-8,11H,3-4H2,1-2H3,(H2,15,17)
InChIKeyAGJRVLIDMTYYTH-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.38
Rot. Bonds1

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

6-bromo-3-(2,3-dimethylcyclopentyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79302513) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 6-bromo-3-(2,3-dimethylcyclopentyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(2,3-dimethylcyclopentyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79302513
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name6-bromo-3-(2,3-dimethylcyclopentyl)imidazo[4,5-b]pyridin-2-amine
SMILESCC1CCC(n2c(N)nc3cc(Br)cnc32)C1C
InChIInChI=1S/C13H17BrN4/c1-7-3-4-11(8(7)2)18-12-10(17-13(18)15)5-9(14)6-16-12/h5-8,11H,3-4H2,1-2H3,(H2,15,17)
InChIKeyAGJRVLIDMTYYTH-UHFFFAOYSA-N
XLogP3.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2,3-dimethylcyclopentyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(2,3-dimethylcyclopentyl)imidazo[4,5-b]pyridin-2-amine (CID 79302513) is 6-bromo-3-(2,3-dimethylcyclopentyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(2,3-dimethylcyclopentyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(2,3-dimethylcyclopentyl)imidazo[4,5-b]pyridin-2-amine is CC1CCC(n2c(N)nc3cc(Br)cnc32)C1C.
What is the InChIKey of 6-bromo-3-(2,3-dimethylcyclopentyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is AGJRVLIDMTYYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-7-3-4-11(8(7)2)18-12-10(17-13(18)15)5-9(14)6-16-12/h5-8,11H,3-4H2,1-2H3,(H2,15,17).
What are the key properties of 6-bromo-3-(2,3-dimethylcyclopentyl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(2,3-dimethylcyclopentyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 309.21 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(2,3-dimethylcyclopentyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79302513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).