4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

C18H20N8O2 — CID 11349510

IUPAC4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccn3)ncc(OCCCN)c21
InChIInChI=1S/C18H20N8O2/c1-2-26-16-12(27-9-5-7-19)10-22-13(11-6-3-4-8-21-11)14(16)23-18(26)15-17(20)25-28-24-15/h3-4,6,8,10H,2,5,7,9,19H2,1H3,(H2,20,25)
InChIKeyOIRMWXYNWZSVSS-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.87
Rot. Bonds7

About 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine

4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 11349510) has the molecular formula C18H20N8O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID11349510
Molecular FormulaC18H20N8O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccn3)ncc(OCCCN)c21
InChIInChI=1S/C18H20N8O2/c1-2-26-16-12(27-9-5-7-19)10-22-13(11-6-3-4-8-21-11)14(16)23-18(26)15-17(20)25-28-24-15/h3-4,6,8,10H,2,5,7,9,19H2,1H3,(H2,20,25)
InChIKeyOIRMWXYNWZSVSS-UHFFFAOYSA-N
XLogP1.87
TPSA143.79 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 11349510) is 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2c(-c3ccccn3)ncc(OCCCN)c21.
What is the InChIKey of 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is OIRMWXYNWZSVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2/c1-2-26-16-12(27-9-5-7-19)10-22-13(11-6-3-4-8-21-11)14(16)23-18(26)15-17(20)25-28-24-15/h3-4,6,8,10H,2,5,7,9,19H2,1H3,(H2,20,25).
What are the key properties of 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 380.41 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-aminopropoxy)-1-ethyl-4-pyridin-2-ylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 11349510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).