2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine

C11H16N4 — CID 79821838

IUPAC2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCCC(C)c1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C11H16N4/c1-3-4-7(2)10-13-8-5-6-9(12)14-11(8)15-10/h5-7H,3-4H2,1-2H3,(H3,12,13,14,15)
InChIKeyIDUOHIUKCIBUQU-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.44
Rot. Bonds3

About 2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine

2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821838) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821838
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCCCC(C)c1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C11H16N4/c1-3-4-7(2)10-13-8-5-6-9(12)14-11(8)15-10/h5-7H,3-4H2,1-2H3,(H3,12,13,14,15)
InChIKeyIDUOHIUKCIBUQU-UHFFFAOYSA-N
XLogP2.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821838) is 2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine is CCCC(C)c1nc2nc(N)ccc2[nH]1.
What is the InChIKey of 2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is IDUOHIUKCIBUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-3-4-7(2)10-13-8-5-6-9(12)14-11(8)15-10/h5-7H,3-4H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine?
2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 204.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).