1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone

C24H22N4O — CID 70818059

IUPAC1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone
SMILESCC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C24H22N4O/c1-16(29)20-12-13-21-26-22(23(28(21)27-20)18-6-3-2-4-7-18)17-8-10-19(11-9-17)24(25)14-5-15-24/h2-4,6-13H,5,14-15,25H2,1H3
InChIKeyKIGVYDFSOUPLKC-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.60
Rot. Bonds4

About 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone

1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone (PubChem CID 70818059) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone.

Molecular Properties

Compound Name1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone
PubChem CID70818059
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone
SMILESCC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C24H22N4O/c1-16(29)20-12-13-21-26-22(23(28(21)27-20)18-6-3-2-4-7-18)17-8-10-19(11-9-17)24(25)14-5-15-24/h2-4,6-13H,5,14-15,25H2,1H3
InChIKeyKIGVYDFSOUPLKC-UHFFFAOYSA-N
XLogP4.60
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone?
The IUPAC name of 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone (CID 70818059) is 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone.
What is the SMILES notation for 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone?
The canonical SMILES for 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone is CC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2n1.
What is the InChIKey of 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone?
The InChIKey is KIGVYDFSOUPLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-16(29)20-12-13-21-26-22(23(28(21)27-20)18-6-3-2-4-7-18)17-8-10-19(11-9-17)24(25)14-5-15-24/h2-4,6-13H,5,14-15,25H2,1H3.
What are the key properties of 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone?
1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone has a molecular weight of 382.47 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1-aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-b]pyridazin-6-yl]ethanone is sourced from PubChem (CID 70818059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).