N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide

C21H17FN4O3 — CID 16886181

IUPACN-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide
SMILESCOc1ccc2nc(-c3ccc(F)c(NC(=O)COc4ccccc4)c3)cn2n1
InChIInChI=1S/C21H17FN4O3/c1-28-21-10-9-19-23-18(12-26(19)25-21)14-7-8-16(22)17(11-14)24-20(27)13-29-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,24,27)
InChIKeyPQGNYUKDMKXYEK-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.56
Rot. Bonds6

About N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide

N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide (PubChem CID 16886181) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide
PubChem CID16886181
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC NameN-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide
SMILESCOc1ccc2nc(-c3ccc(F)c(NC(=O)COc4ccccc4)c3)cn2n1
InChIInChI=1S/C21H17FN4O3/c1-28-21-10-9-19-23-18(12-26(19)25-21)14-7-8-16(22)17(11-14)24-20(27)13-29-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,24,27)
InChIKeyPQGNYUKDMKXYEK-UHFFFAOYSA-N
XLogP3.56
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Taletrectinib
CID 72202474
AZ-Tak1
CID 71543324
N-{[4-({5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}oxy)-3-fluorophenyl]carbamoyl}-2-(4-fluorophenyl)acetamide
CID 21081523
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-morpholin-4-yl-phenyl)-amine
CID 57392473
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
US10399985, Example 38
CID 118288258
6-(6-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one
CID 3584203
2-(3,4-dimethylphenoxy)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 7711146
N-[(6-methyl[1,2,4]triazolo[3,4-a]phthalazin-3-yl)methyl]-2-phenoxy-N-phenylacetamide
CID 1511196

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide (CID 16886181) is N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide is COc1ccc2nc(-c3ccc(F)c(NC(=O)COc4ccccc4)c3)cn2n1.
What is the InChIKey of N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide?
The InChIKey is PQGNYUKDMKXYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-28-21-10-9-19-23-18(12-26(19)25-21)14-7-8-16(22)17(11-14)24-20(27)13-29-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,24,27).
What are the key properties of N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide?
N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide has a molecular weight of 392.39 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 16886181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).