3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol

C15H17N7O3 — CID 11959149

About 3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol

3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol (PubChem CID 11959149) has the molecular formula C15H17N7O3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol.

Molecular Properties

• Compound Name: 3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol
• PubChem CID: 11959149
• Molecular Formula: C15H17N7O3
• Molecular Weight: 343.35 g/mol
• Exact Mass: 343.14
• IUPAC Name: 3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol
• SMILES: CCn1c(-c2nonc2N)nc2c(C#CCO)nc(OCCN)cc21
• InChI: InChI=1S/C15H17N7O3/c1-2-22-10-8-11(24-7-5-16)18-9(4-3-6-23)12(10)19-15(22)13-14(17)21-25-20-13/h8,23H,2,5-7,16H2,1H3,(H2,17,21)
• InChIKey: NSTSTGKRSGUIGM-UHFFFAOYSA-N
• XLogP: -0.24
• TPSA: 151.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.35
LogP ≤ 5	-0.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol?

The IUPAC name of 3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol (CID 11959149) is 3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol.

What is the SMILES notation for 3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol?

The canonical SMILES for 3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol is CCn1c(-c2nonc2N)nc2c(C#CCO)nc(OCCN)cc21.

What is the InChIKey of 3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol?

The InChIKey is NSTSTGKRSGUIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3/c1-2-22-10-8-11(24-7-5-16)18-9(4-3-6-23)12(10)19-15(22)13-14(17)21-25-20-13/h8,23H,2,5-7,16H2,1H3,(H2,17,21).

What are the key properties of 3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol?

3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol has a molecular weight of 343.35 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol is sourced from PubChem (CID 11959149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).