1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone

C18H15FN4O2 — CID 118875365

IUPAC1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2c(C(=O)N3CCC3)nc3cccnn23)c1
InChIInChI=1S/C18H15FN4O2/c1-11(24)12-5-6-14(19)13(10-12)17-16(18(25)22-8-3-9-22)21-15-4-2-7-20-23(15)17/h2,4-7,10H,3,8-9H2,1H3
InChIKeyQERGAMABSQIOLR-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.58
Rot. Bonds3

About 1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone

1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone (PubChem CID 118875365) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone
PubChem CID118875365
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2c(C(=O)N3CCC3)nc3cccnn23)c1
InChIInChI=1S/C18H15FN4O2/c1-11(24)12-5-6-14(19)13(10-12)17-16(18(25)22-8-3-9-22)21-15-4-2-7-20-23(15)17/h2,4-7,10H,3,8-9H2,1H3
InChIKeyQERGAMABSQIOLR-UHFFFAOYSA-N
XLogP2.58
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone?
The IUPAC name of 1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone (CID 118875365) is 1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)c(-c2c(C(=O)N3CCC3)nc3cccnn23)c1.
What is the InChIKey of 1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone?
The InChIKey is QERGAMABSQIOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-11(24)12-5-6-14(19)13(10-12)17-16(18(25)22-8-3-9-22)21-15-4-2-7-20-23(15)17/h2,4-7,10H,3,8-9H2,1H3.
What are the key properties of 1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone?
1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone has a molecular weight of 338.34 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(azetidine-1-carbonyl)imidazo[1,2-b]pyridazin-3-yl]-4-fluorophenyl]ethanone is sourced from PubChem (CID 118875365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).