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

C24H18F2N6O2 — CID 118537122

IUPAC2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)c1F
InChIInChI=1S/C24H18F2N6O2/c1-31-12-17(23(30-31)14-6-8-15(25)9-7-14)18-10-11-21-27-20(13-32(21)29-18)28-24(33)16-4-3-5-19(34-2)22(16)26/h3-13H,1-2H3,(H,28,33)
InChIKeyTUALOGRNPWSZSE-UHFFFAOYSA-N
MW460.44 g/mol
LogP4.34
Rot. Bonds5

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

2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methoxybenzamide (PubChem CID 118537122) has the molecular formula C24H18F2N6O2 and a molecular weight of 460.44 g/mol. Its IUPAC name is 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methoxybenzamide
PubChem CID118537122
Molecular FormulaC24H18F2N6O2
Molecular Weight460.44 g/mol
Exact Mass460.15
IUPAC Name2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)c1F
InChIInChI=1S/C24H18F2N6O2/c1-31-12-17(23(30-31)14-6-8-15(25)9-7-14)18-10-11-21-27-20(13-32(21)29-18)28-24(33)16-4-3-5-19(34-2)22(16)26/h3-13H,1-2H3,(H,28,33)
InChIKeyTUALOGRNPWSZSE-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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methoxybenzamide?
The IUPAC name of 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methoxybenzamide (CID 118537122) is 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methoxybenzamide.
What is the SMILES notation for 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methoxybenzamide?
The canonical SMILES for 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)c1F.
What is the InChIKey of 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methoxybenzamide?
The InChIKey is TUALOGRNPWSZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6O2/c1-31-12-17(23(30-31)14-6-8-15(25)9-7-14)18-10-11-21-27-20(13-32(21)29-18)28-24(33)16-4-3-5-19(34-2)22(16)26/h3-13H,1-2H3,(H,28,33).
What are the key properties of 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methoxybenzamide?
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-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 2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 118537122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).