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

C24H17F3N6O2 — CID 118537136

IUPAC3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxybenzamide
SMILESCOc1c(F)cc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)cc1F
InChIInChI=1S/C24H17F3N6O2/c1-32-11-16(22(31-32)13-3-5-15(25)6-4-13)19-7-8-21-28-20(12-33(21)30-19)29-24(34)14-9-17(26)23(35-2)18(27)10-14/h3-12H,1-2H3,(H,29,34)
InChIKeyDDFMXQUBHBJYGG-UHFFFAOYSA-N
MW478.43 g/mol
LogP4.47
Rot. Bonds5

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

3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxybenzamide (PubChem CID 118537136) has the molecular formula C24H17F3N6O2 and a molecular weight of 478.43 g/mol. Its IUPAC name is 3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxybenzamide
PubChem CID118537136
Molecular FormulaC24H17F3N6O2
Molecular Weight478.43 g/mol
Exact Mass478.14
IUPAC Name3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxybenzamide
SMILESCOc1c(F)cc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)cc1F
InChIInChI=1S/C24H17F3N6O2/c1-32-11-16(22(31-32)13-3-5-15(25)6-4-13)19-7-8-21-28-20(12-33(21)30-19)29-24(34)14-9-17(26)23(35-2)18(27)10-14/h3-12H,1-2H3,(H,29,34)
InChIKeyDDFMXQUBHBJYGG-UHFFFAOYSA-N
XLogP4.47
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxybenzamide?
The IUPAC name of 3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxybenzamide (CID 118537136) is 3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxybenzamide.
What is the SMILES notation for 3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxybenzamide?
The canonical SMILES for 3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxybenzamide is COc1c(F)cc(C(=O)Nc2cn3nc(-c4cn(C)nc4-c4ccc(F)cc4)ccc3n2)cc1F.
What is the InChIKey of 3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxybenzamide?
The InChIKey is DDFMXQUBHBJYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O2/c1-32-11-16(22(31-32)13-3-5-15(25)6-4-13)19-7-8-21-28-20(12-33(21)30-19)29-24(34)14-9-17(26)23(35-2)18(27)10-14/h3-12H,1-2H3,(H,29,34).
What are the key properties of 3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxybenzamide?
3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxybenzamide has a molecular weight of 478.43 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 118537136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).