ethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate

C18H17N3O4 — CID 2815685

IUPACethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ccc(CC(C)=O)cc3)ccc2n1
InChIInChI=1S/C18H17N3O4/c1-3-24-18(23)15-11-21-16(19-15)8-9-17(20-21)25-14-6-4-13(5-7-14)10-12(2)22/h4-9,11H,3,10H2,1-2H3
InChIKeyQULAIGCWOZECRF-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.83
Rot. Bonds6

About ethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate

ethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 2815685) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID2815685
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Nameethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3ccc(CC(C)=O)cc3)ccc2n1
InChIInChI=1S/C18H17N3O4/c1-3-24-18(23)15-11-21-16(19-15)8-9-17(20-21)25-14-6-4-13(5-7-14)10-12(2)22/h4-9,11H,3,10H2,1-2H3
InChIKeyQULAIGCWOZECRF-UHFFFAOYSA-N
XLogP2.83
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of ethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate (CID 2815685) is ethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate is CCOC(=O)c1cn2nc(Oc3ccc(CC(C)=O)cc3)ccc2n1.
What is the InChIKey of ethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is QULAIGCWOZECRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-3-24-18(23)15-11-21-16(19-15)8-9-17(20-21)25-14-6-4-13(5-7-14)10-12(2)22/h4-9,11H,3,10H2,1-2H3.
What are the key properties of ethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate?
ethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-(2-oxopropyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 2815685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).