2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide

C18H17F3N4O3 — CID 42623340

IUPAC2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide
SMILESCOCCOc1cc(CNC(=O)C(F)(F)F)cc(-c2cn3ncccc3n2)c1
InChIInChI=1S/C18H17F3N4O3/c1-27-5-6-28-14-8-12(10-22-17(26)18(19,20)21)7-13(9-14)15-11-25-16(24-15)3-2-4-23-25/h2-4,7-9,11H,5-6,10H2,1H3,(H,22,26)
InChIKeySXGYCEMPBZRAHN-UHFFFAOYSA-N
MW394.35 g/mol
LogP2.60
Rot. Bonds7

About 2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide

2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide (PubChem CID 42623340) has the molecular formula C18H17F3N4O3 and a molecular weight of 394.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide
PubChem CID42623340
Molecular FormulaC18H17F3N4O3
Molecular Weight394.35 g/mol
Exact Mass394.13
IUPAC Name2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide
SMILESCOCCOc1cc(CNC(=O)C(F)(F)F)cc(-c2cn3ncccc3n2)c1
InChIInChI=1S/C18H17F3N4O3/c1-27-5-6-28-14-8-12(10-22-17(26)18(19,20)21)7-13(9-14)15-11-25-16(24-15)3-2-4-23-25/h2-4,7-9,11H,5-6,10H2,1H3,(H,22,26)
InChIKeySXGYCEMPBZRAHN-UHFFFAOYSA-N
XLogP2.60
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide (CID 42623340) is 2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide is COCCOc1cc(CNC(=O)C(F)(F)F)cc(-c2cn3ncccc3n2)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide?
The InChIKey is SXGYCEMPBZRAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O3/c1-27-5-6-28-14-8-12(10-22-17(26)18(19,20)21)7-13(9-14)15-11-25-16(24-15)3-2-4-23-25/h2-4,7-9,11H,5-6,10H2,1H3,(H,22,26).
What are the key properties of 2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide?
2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide has a molecular weight of 394.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-imidazo[1,2-b]pyridazin-2-yl-5-(2-methoxyethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 42623340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).