5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine

C17H21FN4O — CID 20677237

IUPAC5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine
SMILESCc1cn2c(-c3nn(C)c(OC(C)F)c3C)c(C)cc(C)c2n1
InChIInChI=1S/C17H21FN4O/c1-9-7-10(2)16-19-11(3)8-22(16)15(9)14-12(4)17(21(6)20-14)23-13(5)18/h7-8,13H,1-6H3
InChIKeyVREXGGXSDDMGMR-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.66
Rot. Bonds3

About 5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine

5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine (PubChem CID 20677237) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine
PubChem CID20677237
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine
SMILESCc1cn2c(-c3nn(C)c(OC(C)F)c3C)c(C)cc(C)c2n1
InChIInChI=1S/C17H21FN4O/c1-9-7-10(2)16-19-11(3)8-22(16)15(9)14-12(4)17(21(6)20-14)23-13(5)18/h7-8,13H,1-6H3
InChIKeyVREXGGXSDDMGMR-UHFFFAOYSA-N
XLogP3.66
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ksq-4279
CID 150782011
Methyl substituted pyrazole, 27
CID 23648674
US10399985, Example 36
CID 118288233
US10399985, Example 41
CID 118288257
US10399985, Example 45
CID 122693993
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenylpyrazolo[1,5-d][1,2,4]triazine
CID 9865768
3,7-bis(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9888315
7-(2-fluorophenyl)-3-(3-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 9909977
7-(2-Fluorophenyl)-2-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine
CID 18406840
3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406861
3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406877
3-(2,5-difluorophenyl)-7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406904

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine?
The IUPAC name of 5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine (CID 20677237) is 5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine.
What is the SMILES notation for 5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine?
The canonical SMILES for 5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine is Cc1cn2c(-c3nn(C)c(OC(C)F)c3C)c(C)cc(C)c2n1.
What is the InChIKey of 5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine?
The InChIKey is VREXGGXSDDMGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-9-7-10(2)16-19-11(3)8-22(16)15(9)14-12(4)17(21(6)20-14)23-13(5)18/h7-8,13H,1-6H3.
What are the key properties of 5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine?
5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine has a molecular weight of 316.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-fluoroethoxy)-1,4-dimethylpyrazol-3-yl]-2,6,8-trimethylimidazo[1,2-a]pyridine is sourced from PubChem (CID 20677237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).