N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine

C18H15FN4S — CID 58857753

IUPACN-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1csc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)c1
InChIInChI=1S/C18H15FN4S/c1-12-8-16(24-11-12)15-10-21-18-7-6-17(22-23(15)18)20-9-13-2-4-14(19)5-3-13/h2-8,10-11H,9H2,1H3,(H,20,22)
InChIKeyRFYXTKRHPCVZNP-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.52
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine

N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857753) has the molecular formula C18H15FN4S and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857753
Molecular FormulaC18H15FN4S
Molecular Weight338.41 g/mol
Exact Mass338.10
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1csc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)c1
InChIInChI=1S/C18H15FN4S/c1-12-8-16(24-11-12)15-10-21-18-7-6-17(22-23(15)18)20-9-13-2-4-14(19)5-3-13/h2-8,10-11H,9H2,1H3,(H,20,22)
InChIKeyRFYXTKRHPCVZNP-UHFFFAOYSA-N
XLogP4.52
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine 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 N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine (CID 58857753) is N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is Cc1csc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is RFYXTKRHPCVZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4S/c1-12-8-16(24-11-12)15-10-21-18-7-6-17(22-23(15)18)20-9-13-2-4-14(19)5-3-13/h2-8,10-11H,9H2,1H3,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine?
N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 338.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).