2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol

C15H13F3N4O2 — CID 126475536

IUPAC2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol
SMILESOCCNc1nccn2c(-c3ccc(OC(F)(F)F)cc3)cnc12
InChIInChI=1S/C15H13F3N4O2/c16-15(17,18)24-11-3-1-10(2-4-11)12-9-21-14-13(20-6-8-23)19-5-7-22(12)14/h1-5,7,9,23H,6,8H2,(H,19,20)
InChIKeyNHEZYDOCRICZQP-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.70
Rot. Bonds5

About 2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol

2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol (PubChem CID 126475536) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is 2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol
PubChem CID126475536
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol
SMILESOCCNc1nccn2c(-c3ccc(OC(F)(F)F)cc3)cnc12
InChIInChI=1S/C15H13F3N4O2/c16-15(17,18)24-11-3-1-10(2-4-11)12-9-21-14-13(20-6-8-23)19-5-7-22(12)14/h1-5,7,9,23H,6,8H2,(H,19,20)
InChIKeyNHEZYDOCRICZQP-UHFFFAOYSA-N
XLogP2.70
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol?
The IUPAC name of 2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol (CID 126475536) is 2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol.
What is the SMILES notation for 2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol?
The canonical SMILES for 2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol is OCCNc1nccn2c(-c3ccc(OC(F)(F)F)cc3)cnc12.
What is the InChIKey of 2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol?
The InChIKey is NHEZYDOCRICZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c16-15(17,18)24-11-3-1-10(2-4-11)12-9-21-14-13(20-6-8-23)19-5-7-22(12)14/h1-5,7,9,23H,6,8H2,(H,19,20).
What are the key properties of 2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol?
2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol has a molecular weight of 338.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]ethanol is sourced from PubChem (CID 126475536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).