1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine

C18H17FN6 — CID 167125909

IUPAC1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine
SMILESCNCc1cn2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2n1
InChIInChI=1S/C18H17FN6/c1-20-9-14-10-25-18(22-14)15(7-8-21-25)16-11-24(2)23-17(16)12-3-5-13(19)6-4-12/h3-8,10-11,20H,9H2,1-2H3
InChIKeyLGAFYKNDVWVUQV-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.66
Rot. Bonds4

About 1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine

1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine (PubChem CID 167125909) has the molecular formula C18H17FN6 and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine
PubChem CID167125909
Molecular FormulaC18H17FN6
Molecular Weight336.37 g/mol
Exact Mass336.15
IUPAC Name1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine
SMILESCNCc1cn2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2n1
InChIInChI=1S/C18H17FN6/c1-20-9-14-10-25-18(22-14)15(7-8-21-25)16-11-24(2)23-17(16)12-3-5-13(19)6-4-12/h3-8,10-11,20H,9H2,1-2H3
InChIKeyLGAFYKNDVWVUQV-UHFFFAOYSA-N
XLogP2.66
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine 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-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine (CID 167125909) is 1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine is CNCc1cn2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2n1.
What is the InChIKey of 1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine?
The InChIKey is LGAFYKNDVWVUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6/c1-20-9-14-10-25-18(22-14)15(7-8-21-25)16-11-24(2)23-17(16)12-3-5-13(19)6-4-12/h3-8,10-11,20H,9H2,1-2H3.
What are the key properties of 1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine?
1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine has a molecular weight of 336.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 167125909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).