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

C19H21N7O2 — CID 11245934

IUPAC4-[7-(3-aminopropoxy)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCN)c21
InChIInChI=1S/C19H21N7O2/c1-2-26-17-13(27-10-6-9-20)11-22-14(12-7-4-3-5-8-12)15(17)23-19(26)16-18(21)25-28-24-16/h3-5,7-8,11H,2,6,9-10,20H2,1H3,(H2,21,25)
InChIKeyOAYXVYXQZWJEBE-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.48
Rot. Bonds7

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

4-[7-(3-aminopropoxy)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 11245934) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[7-(3-aminopropoxy)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[7-(3-aminopropoxy)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID11245934
Molecular FormulaC19H21N7O2
Molecular Weight379.42 g/mol
Exact Mass379.18
IUPAC Name4-[7-(3-aminopropoxy)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCN)c21
InChIInChI=1S/C19H21N7O2/c1-2-26-17-13(27-10-6-9-20)11-22-14(12-7-4-3-5-8-12)15(17)23-19(26)16-18(21)25-28-24-16/h3-5,7-8,11H,2,6,9-10,20H2,1H3,(H2,21,25)
InChIKeyOAYXVYXQZWJEBE-UHFFFAOYSA-N
XLogP2.48
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[7-(3-aminopropoxy)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine (CID 11245934) is 4-[7-(3-aminopropoxy)-1-ethyl-4-phenylimidazo[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-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[7-(3-aminopropoxy)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCCN)c21.
What is the InChIKey of 4-[7-(3-aminopropoxy)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is OAYXVYXQZWJEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-2-26-17-13(27-10-6-9-20)11-22-14(12-7-4-3-5-8-12)15(17)23-19(26)16-18(21)25-28-24-16/h3-5,7-8,11H,2,6,9-10,20H2,1H3,(H2,21,25).
What are the key properties of 4-[7-(3-aminopropoxy)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine?
4-[7-(3-aminopropoxy)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 379.42 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-aminopropoxy)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 11245934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).