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

C20H14F3N5 — CID 118278175

IUPAC3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCc1c(C(F)(F)F)nc2ccc(C#Cc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C20H14F3N5/c1-13-19(20(21,22)23)25-18-11-9-15(26-28(13)18)8-10-17-24-16(12-27(17)2)14-6-4-3-5-7-14/h3-7,9,11-12H,1-2H3
InChIKeyFBIIEDSGLMMLOZ-UHFFFAOYSA-N
MW381.36 g/mol
LogP3.86
Rot. Bonds1

About 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 118278175) has the molecular formula C20H14F3N5 and a molecular weight of 381.36 g/mol. Its IUPAC name is 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
PubChem CID118278175
Molecular FormulaC20H14F3N5
Molecular Weight381.36 g/mol
Exact Mass381.12
IUPAC Name3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCc1c(C(F)(F)F)nc2ccc(C#Cc3nc(-c4ccccc4)cn3C)nn12
InChIInChI=1S/C20H14F3N5/c1-13-19(20(21,22)23)25-18-11-9-15(26-28(13)18)8-10-17-24-16(12-27(17)2)14-6-4-3-5-7-14/h3-7,9,11-12H,1-2H3
InChIKeyFBIIEDSGLMMLOZ-UHFFFAOYSA-N
XLogP3.86
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 53.86
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

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Savolitinib
CID 68289010
Pf-05180999
CID 60143346
Adipiplon
CID 11198924
Vactosertib
CID 54766013
Ly-2584702
CID 25118925
5-(3-(Difluoromethyl)-4-fluorophenyl)-3-((2-methyl-1H-imidazol-1-yl)methyl)pyridazine
CID 22240172
FK-739 free acid
CID 9801627
Decoglurant
CID 71533696
Fazadinium Bromide
CID 6321422
(R)-Zinc-3573
CID 95882507
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 118278175) is 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is Cc1c(C(F)(F)F)nc2ccc(C#Cc3nc(-c4ccccc4)cn3C)nn12.
What is the InChIKey of 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The InChIKey is FBIIEDSGLMMLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5/c1-13-19(20(21,22)23)25-18-11-9-15(26-28(13)18)8-10-17-24-16(12-27(17)2)14-6-4-3-5-7-14/h3-7,9,11-12H,1-2H3.
What are the key properties of 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 381.36 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118278175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).