4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C16H20N8O2 — CID 25023728

IUPAC4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(C#CCN)ncc(OCCCN)c21
InChIInChI=1S/C16H20N8O2/c1-2-24-14-11(25-8-4-7-18)9-20-10(5-3-6-17)12(14)21-16(24)13-15(19)23-26-22-13/h9H,2,4,6-8,17-18H2,1H3,(H2,19,23)
InChIKeyAOKADEMCVOQECP-UHFFFAOYSA-N
MW356.39 g/mol
LogP0.12
Rot. Bonds6

About 4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 25023728) has the molecular formula C16H20N8O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID25023728
Molecular FormulaC16H20N8O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(C#CCN)ncc(OCCCN)c21
InChIInChI=1S/C16H20N8O2/c1-2-24-14-11(25-8-4-7-18)9-20-10(5-3-6-17)12(14)21-16(24)13-15(19)23-26-22-13/h9H,2,4,6-8,17-18H2,1H3,(H2,19,23)
InChIKeyAOKADEMCVOQECP-UHFFFAOYSA-N
XLogP0.12
TPSA156.92 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

Gsk 690693
CID 16725726
4-[1-Ethyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-c]pyridin-2-yl]-furazan-3-ylamine
CID 11256399
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol
CID 25023726
4-[7-(3-aminopropoxy)-1-ethyl-4-phenyl-1H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11245934
4-{6-[(3-Aminophenyl)oxy]-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl}-furazan-3-amine
CID 11404963
4-{1-ethyl-6-phenoxy-1H-imidazo[4,5-c]pyridin-2-yl}-1,2,5-oxadiazol-3-amine
CID 16099843
4-{1-ethyl-6-methoxy-1H-imidazo[4,5-c]pyridin-2-yl}-1,2,5-oxadiazol-3-amine
CID 16099857
N-(4-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)acetamide
CID 16099858
4-[1-Ethyl-7-(piperidin-4-yloxy)-1H-imidazo[4,5-c]pyridin-2-yl]-furazan-3-ylamine
CID 25023714
4-[7-(3-aminopropoxy)-4-(2-cyclopropylethynyl)-1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 25023724
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
CID 25023725
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]but-3-yn-1-ol
CID 25023727

Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 25023728) is 4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2c(C#CCN)ncc(OCCCN)c21.
What is the InChIKey of 4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is AOKADEMCVOQECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O2/c1-2-24-14-11(25-8-4-7-18)9-20-10(5-3-6-17)12(14)21-16(24)13-15(19)23-26-22-13/h9H,2,4,6-8,17-18H2,1H3,(H2,19,23).
What are the key properties of 4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 356.39 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-aminopropoxy)-4-(3-aminoprop-1-ynyl)-1-ethylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 25023728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).