1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone

C20H21FN4O — CID 24752626

IUPAC1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone
SMILESCc1ccc2nc(-c3ccc(F)cc3)c(C(=O)CN3CCCCC3)n2n1
InChIInChI=1S/C20H21FN4O/c1-14-5-10-18-22-19(15-6-8-16(21)9-7-15)20(25(18)23-14)17(26)13-24-11-3-2-4-12-24/h5-10H,2-4,11-13H2,1H3
InChIKeyOJEVEZOGOGFQGW-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.51
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone

1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone (PubChem CID 24752626) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone
PubChem CID24752626
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone
SMILESCc1ccc2nc(-c3ccc(F)cc3)c(C(=O)CN3CCCCC3)n2n1
InChIInChI=1S/C20H21FN4O/c1-14-5-10-18-22-19(15-6-8-16(21)9-7-15)20(25(18)23-14)17(26)13-24-11-3-2-4-12-24/h5-10H,2-4,11-13H2,1H3
InChIKeyOJEVEZOGOGFQGW-UHFFFAOYSA-N
XLogP3.51
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone (CID 24752626) is 1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone is Cc1ccc2nc(-c3ccc(F)cc3)c(C(=O)CN3CCCCC3)n2n1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone?
The InChIKey is OJEVEZOGOGFQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-14-5-10-18-22-19(15-6-8-16(21)9-7-15)20(25(18)23-14)17(26)13-24-11-3-2-4-12-24/h5-10H,2-4,11-13H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone?
1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone has a molecular weight of 352.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-6-methylimidazo[1,2-b]pyridazin-3-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 24752626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).