6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine

C17H12F3N5O — CID 155554469

IUPAC6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
SMILESCn1cc(-c2cn3c(-c4cccc(OC(F)(F)F)c4)cnc3cn2)cn1
InChIInChI=1S/C17H12F3N5O/c1-24-9-12(6-23-24)14-10-25-15(7-22-16(25)8-21-14)11-3-2-4-13(5-11)26-17(18,19)20/h2-10H,1H3
InChIKeyCFXOJUMUSAEDRW-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.70
Rot. Bonds3

About 6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine

6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 155554469) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
PubChem CID155554469
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC Name6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
SMILESCn1cc(-c2cn3c(-c4cccc(OC(F)(F)F)c4)cnc3cn2)cn1
InChIInChI=1S/C17H12F3N5O/c1-24-9-12(6-23-24)14-10-25-15(7-22-16(25)8-21-14)11-3-2-4-13(5-11)26-17(18,19)20/h2-10H,1H3
InChIKeyCFXOJUMUSAEDRW-UHFFFAOYSA-N
XLogP3.70
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine (CID 155554469) is 6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine is Cn1cc(-c2cn3c(-c4cccc(OC(F)(F)F)c4)cnc3cn2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is CFXOJUMUSAEDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c1-24-9-12(6-23-24)14-10-25-15(7-22-16(25)8-21-14)11-3-2-4-13(5-11)26-17(18,19)20/h2-10H,1H3.
What are the key properties of 6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 359.31 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 155554469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).