7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole

C17H12N4O — CID 157216730

IUPAC7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole
SMILESCc1ccc2c(C)noc2c1C#Cc1cnc2cccnn12
InChIInChI=1S/C17H12N4O/c1-11-5-7-15-12(2)20-22-17(15)14(11)8-6-13-10-18-16-4-3-9-19-21(13)16/h3-5,7,9-10H,1-2H3
InChIKeyLOSHECBGTOGWBU-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.89
Rot. Bonds

About 7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole

7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole (PubChem CID 157216730) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole.

Molecular Properties

Compound Name7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole
PubChem CID157216730
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole
SMILESCc1ccc2c(C)noc2c1C#Cc1cnc2cccnn12
InChIInChI=1S/C17H12N4O/c1-11-5-7-15-12(2)20-22-17(15)14(11)8-6-13-10-18-16-4-3-9-19-21(13)16/h3-5,7,9-10H,1-2H3
InChIKeyLOSHECBGTOGWBU-UHFFFAOYSA-N
XLogP2.89
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.89
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

7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-N-[3-(trifluoromethoxy)phenyl]-1,2-benzoxazol-3-amine
CID 146522930
6-tert-butyl-7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
CID 146522851
7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methoxy-N-[3-(trichloromethyl)phenyl]-1,2-benzoxazol-3-amine
CID 146523781
3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoyl chloride;hydrochloride
CID 139270206
5-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,3-thiazol-2-amine
CID 123390487
3-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-ethyl-7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-1,2-benzoxazol-6-amine;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-N,N-dimethyl-1,2-benzoxazol-6-amine
CID 159311563
7-(2-imidazo[1,2-b]pyridazin-2-ylethynyl)-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
CID 177375425
6-methylpyrazolo[1,5-a]pyrimidine
CID 12773553
3-[2-(2,5-dimethylphenyl)ethynyl]-7-methylimidazo[1,2-b]pyridazine
CID 168942855
N-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-3-pyridin-4-yl-3,4-dihydropyrazole-2-carboxamide
CID 153392577
(3S)-N-[2,4-difluoro-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)phenyl]-3-phenyl-1,2-oxazolidine-2-carboxamide
CID 154648477
3-[2-(2,5-dimethylphenyl)ethynyl]imidazo[1,2-a]pyridine
CID 155453754

Frequently Asked Questions

What is the IUPAC name of 7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole?
The IUPAC name of 7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole (CID 157216730) is 7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole.
What is the SMILES notation for 7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole?
The canonical SMILES for 7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole is Cc1ccc2c(C)noc2c1C#Cc1cnc2cccnn12.
What is the InChIKey of 7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole?
The InChIKey is LOSHECBGTOGWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c1-11-5-7-15-12(2)20-22-17(15)14(11)8-6-13-10-18-16-4-3-9-19-21(13)16/h3-5,7,9-10H,1-2H3.
What are the key properties of 7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole?
7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole has a molecular weight of 288.31 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-3,6-dimethyl-1,2-benzoxazole is sourced from PubChem (CID 157216730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).