1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea

C22H22FN7O — CID 59759695

IUPAC1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea
SMILESCCNC(=O)Nc1cc(-c2c(-c3ccc(F)c(C)c3)nc3ccc(NC)nn23)ccn1
InChIInChI=1S/C22H22FN7O/c1-4-25-22(31)27-18-12-15(9-10-26-18)21-20(14-5-6-16(23)13(2)11-14)28-19-8-7-17(24-3)29-30(19)21/h5-12H,4H2,1-3H3,(H,24,29)(H2,25,26,27,31)
InChIKeyIOLFYNDYSWSBTD-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.09
Rot. Bonds5

About 1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea

1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea (PubChem CID 59759695) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is 1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea
PubChem CID59759695
Molecular FormulaC22H22FN7O
Molecular Weight419.46 g/mol
Exact Mass419.19
IUPAC Name1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea
SMILESCCNC(=O)Nc1cc(-c2c(-c3ccc(F)c(C)c3)nc3ccc(NC)nn23)ccn1
InChIInChI=1S/C22H22FN7O/c1-4-25-22(31)27-18-12-15(9-10-26-18)21-20(14-5-6-16(23)13(2)11-14)28-19-8-7-17(24-3)29-30(19)21/h5-12H,4H2,1-3H3,(H,24,29)(H2,25,26,27,31)
InChIKeyIOLFYNDYSWSBTD-UHFFFAOYSA-N
XLogP4.09
TPSA96.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea 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-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea?
The IUPAC name of 1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea (CID 59759695) is 1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea?
The canonical SMILES for 1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea is CCNC(=O)Nc1cc(-c2c(-c3ccc(F)c(C)c3)nc3ccc(NC)nn23)ccn1.
What is the InChIKey of 1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea?
The InChIKey is IOLFYNDYSWSBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-4-25-22(31)27-18-12-15(9-10-26-18)21-20(14-5-6-16(23)13(2)11-14)28-19-8-7-17(24-3)29-30(19)21/h5-12H,4H2,1-3H3,(H,24,29)(H2,25,26,27,31).
What are the key properties of 1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea?
1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea has a molecular weight of 419.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea is sourced from PubChem (CID 59759695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).