6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

C19H12F3N5 — CID 118278241

IUPAC6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCn1cc(-c2ccccc2)nc1C#Cc1ccc2nc(C(F)(F)F)cn2n1
InChIInChI=1S/C19H12F3N5/c1-26-11-15(13-5-3-2-4-6-13)23-17(26)9-7-14-8-10-18-24-16(19(20,21)22)12-27(18)25-14/h2-6,8,10-12H,1H3
InChIKeyFWWFBRSBJVIZSP-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.55
Rot. Bonds1

About 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 118278241) has the molecular formula C19H12F3N5 and a molecular weight of 367.33 g/mol. Its IUPAC name is 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
PubChem CID118278241
Molecular FormulaC19H12F3N5
Molecular Weight367.33 g/mol
Exact Mass367.10
IUPAC Name6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCn1cc(-c2ccccc2)nc1C#Cc1ccc2nc(C(F)(F)F)cn2n1
InChIInChI=1S/C19H12F3N5/c1-26-11-15(13-5-3-2-4-6-13)23-17(26)9-7-14-8-10-18-24-16(19(20,21)22)12-27(18)25-14/h2-6,8,10-12H,1H3
InChIKeyFWWFBRSBJVIZSP-UHFFFAOYSA-N
XLogP3.55
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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3,8-Dimethyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl)ethynyl)-2-(trifluoro-methyl)imidazo[1,2-b]pyridazine
CID 75201366
5,8-Dimethyl-2-[2-(2-phenyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 90024886

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 118278241) is 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is Cn1cc(-c2ccccc2)nc1C#Cc1ccc2nc(C(F)(F)F)cn2n1.
What is the InChIKey of 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The InChIKey is FWWFBRSBJVIZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5/c1-26-11-15(13-5-3-2-4-6-13)23-17(26)9-7-14-8-10-18-24-16(19(20,21)22)12-27(18)25-14/h2-6,8,10-12H,1H3.
What are the key properties of 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 367.33 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118278241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).