2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine

C13H21N5 — CID 79821798

IUPAC2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCC(N)CCCC(C)c1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C13H21N5/c1-8(4-3-5-9(2)14)12-16-10-6-7-11(15)17-13(10)18-12/h6-9H,3-5,14H2,1-2H3,(H3,15,16,17,18)
InChIKeyOTGMSPCRGPJIBJ-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.16
Rot. Bonds5

About 2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine

2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821798) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821798
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCC(N)CCCC(C)c1nc2nc(N)ccc2[nH]1
InChIInChI=1S/C13H21N5/c1-8(4-3-5-9(2)14)12-16-10-6-7-11(15)17-13(10)18-12/h6-9H,3-5,14H2,1-2H3,(H3,15,16,17,18)
InChIKeyOTGMSPCRGPJIBJ-UHFFFAOYSA-N
XLogP2.16
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821798) is 2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine is CC(N)CCCC(C)c1nc2nc(N)ccc2[nH]1.
What is the InChIKey of 2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is OTGMSPCRGPJIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-8(4-3-5-9(2)14)12-16-10-6-7-11(15)17-13(10)18-12/h6-9H,3-5,14H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 247.35 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminoheptan-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).