3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide

C24H18F2N6O2 — CID 118537130

IUPAC3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide
SMILESCOc1cc(F)cc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)c1
InChIInChI=1S/C24H18F2N6O2/c1-31-12-19(23(30-31)14-3-5-16(25)6-4-14)20-7-8-22-27-21(13-32(22)29-20)28-24(33)15-9-17(26)11-18(10-15)34-2/h3-13H,1-2H3,(H,28,33)
InChIKeyGNFHJOCKJPRPNE-UHFFFAOYSA-N
MW460.44 g/mol
LogP4.34
Rot. Bonds5

About 3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide

3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide (PubChem CID 118537130) has the molecular formula C24H18F2N6O2 and a molecular weight of 460.44 g/mol. Its IUPAC name is 3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide
PubChem CID118537130
Molecular FormulaC24H18F2N6O2
Molecular Weight460.44 g/mol
Exact Mass460.15
IUPAC Name3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide
SMILESCOc1cc(F)cc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)c1
InChIInChI=1S/C24H18F2N6O2/c1-31-12-19(23(30-31)14-3-5-16(25)6-4-14)20-7-8-22-27-21(13-32(22)29-20)28-24(33)15-9-17(26)11-18(10-15)34-2/h3-13H,1-2H3,(H,28,33)
InChIKeyGNFHJOCKJPRPNE-UHFFFAOYSA-N
XLogP4.34
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide 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 3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide?
The IUPAC name of 3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide (CID 118537130) is 3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide is COc1cc(F)cc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)c1.
What is the InChIKey of 3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide?
The InChIKey is GNFHJOCKJPRPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6O2/c1-31-12-19(23(30-31)14-3-5-16(25)6-4-14)20-7-8-22-27-21(13-32(22)29-20)28-24(33)15-9-17(26)11-18(10-15)34-2/h3-13H,1-2H3,(H,28,33).
What are the key properties of 3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide?
3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide has a molecular weight of 460.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-5-methoxybenzamide is sourced from PubChem (CID 118537130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).