ethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate

C13H15FN4O2 — CID 123616851

IUPACethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N3CCC(F)C3)nn12
InChIInChI=1S/C13H15FN4O2/c1-2-20-13(19)10-7-15-11-3-4-12(16-18(10)11)17-6-5-9(14)8-17/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyDDZPAPSQJBKCKI-UHFFFAOYSA-N
MW278.29 g/mol
LogP1.45
Rot. Bonds3

About ethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate

ethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate (PubChem CID 123616851) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is ethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate
PubChem CID123616851
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Nameethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(N3CCC(F)C3)nn12
InChIInChI=1S/C13H15FN4O2/c1-2-20-13(19)10-7-15-11-3-4-12(16-18(10)11)17-6-5-9(14)8-17/h3-4,7,9H,2,5-6,8H2,1H3
InChIKeyDDZPAPSQJBKCKI-UHFFFAOYSA-N
XLogP1.45
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate (CID 123616851) is ethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1cnc2ccc(N3CCC(F)C3)nn12.
What is the InChIKey of ethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is DDZPAPSQJBKCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-2-20-13(19)10-7-15-11-3-4-12(16-18(10)11)17-6-5-9(14)8-17/h3-4,7,9H,2,5-6,8H2,1H3.
What are the key properties of ethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate?
ethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 278.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 123616851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).