(Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide

C22H18FN5O — CID 6479018

IUPAC(Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide
SMILESCNC(=O)/C=C(/c1ccccc1)c1ccc2nc(N)c(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C22H18FN5O/c1-25-20(29)13-17(14-5-3-2-4-6-14)18-11-12-19-26-22(24)21(28(19)27-18)15-7-9-16(23)10-8-15/h2-13H,24H2,1H3,(H,25,29)/b17-13-
InChIKeyNTYVRHVJNZEXFO-LGMDPLHJSA-N
MW387.42 g/mol
LogP3.30
Rot. Bonds4

About (Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide

(Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide (PubChem CID 6479018) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is (Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide
PubChem CID6479018
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name(Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide
SMILESCNC(=O)/C=C(/c1ccccc1)c1ccc2nc(N)c(-c3ccc(F)cc3)n2n1
InChIInChI=1S/C22H18FN5O/c1-25-20(29)13-17(14-5-3-2-4-6-14)18-11-12-19-26-22(24)21(28(19)27-18)15-7-9-16(23)10-8-15/h2-13H,24H2,1H3,(H,25,29)/b17-13-
InChIKeyNTYVRHVJNZEXFO-LGMDPLHJSA-N
XLogP3.30
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide 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 (Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide?
The IUPAC name of (Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide (CID 6479018) is (Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide is CNC(=O)/C=C(/c1ccccc1)c1ccc2nc(N)c(-c3ccc(F)cc3)n2n1.
What is the InChIKey of (Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide?
The InChIKey is NTYVRHVJNZEXFO-LGMDPLHJSA-N. The full InChI is InChI=1S/C22H18FN5O/c1-25-20(29)13-17(14-5-3-2-4-6-14)18-11-12-19-26-22(24)21(28(19)27-18)15-7-9-16(23)10-8-15/h2-13H,24H2,1H3,(H,25,29)/b17-13-.
What are the key properties of (Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide?
(Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide has a molecular weight of 387.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-amino-3-(4-fluorophenyl)imidazo[1,2-b]pyridazin-6-yl]-N-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 6479018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).