2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide

C15H15F5N4O2 — CID 166252317

IUPAC2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NC(C1CCOCC1)C(F)(F)F)c1c(C(F)F)nc2cnccn12
InChIInChI=1S/C15H15F5N4O2/c16-13(17)10-11(24-4-3-21-7-9(24)22-10)14(25)23-12(15(18,19)20)8-1-5-26-6-2-8/h3-4,7-8,12-13H,1-2,5-6H2,(H,23,25)
InChIKeySZSPRXPLDTYHQI-UHFFFAOYSA-N
MW378.30 g/mol
LogP2.75
Rot. Bonds4

About 2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide

2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide (PubChem CID 166252317) has the molecular formula C15H15F5N4O2 and a molecular weight of 378.30 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide
PubChem CID166252317
Molecular FormulaC15H15F5N4O2
Molecular Weight378.30 g/mol
Exact Mass378.11
IUPAC Name2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NC(C1CCOCC1)C(F)(F)F)c1c(C(F)F)nc2cnccn12
InChIInChI=1S/C15H15F5N4O2/c16-13(17)10-11(24-4-3-21-7-9(24)22-10)14(25)23-12(15(18,19)20)8-1-5-26-6-2-8/h3-4,7-8,12-13H,1-2,5-6H2,(H,23,25)
InChIKeySZSPRXPLDTYHQI-UHFFFAOYSA-N
XLogP2.75
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide (CID 166252317) is 2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide is O=C(NC(C1CCOCC1)C(F)(F)F)c1c(C(F)F)nc2cnccn12.
What is the InChIKey of 2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is SZSPRXPLDTYHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F5N4O2/c16-13(17)10-11(24-4-3-21-7-9(24)22-10)14(25)23-12(15(18,19)20)8-1-5-26-6-2-8/h3-4,7-8,12-13H,1-2,5-6H2,(H,23,25).
What are the key properties of 2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide?
2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 378.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]imidazo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 166252317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).