3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol

C17H15F3N4O2 — CID 56966840

IUPAC3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
SMILESOc1cccc(-c2cn3cc(C(F)(F)F)nc3c(N3CCOCC3)n2)c1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)14-10-24-9-13(11-2-1-3-12(25)8-11)21-15(16(24)22-14)23-4-6-26-7-5-23/h1-3,8-10,25H,4-7H2
InChIKeyCYHPIECDPXPPLI-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.96
Rot. Bonds2

About 3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol

3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol (PubChem CID 56966840) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol.

Molecular Properties

Compound Name3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
PubChem CID56966840
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol
SMILESOc1cccc(-c2cn3cc(C(F)(F)F)nc3c(N3CCOCC3)n2)c1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)14-10-24-9-13(11-2-1-3-12(25)8-11)21-15(16(24)22-14)23-4-6-26-7-5-23/h1-3,8-10,25H,4-7H2
InChIKeyCYHPIECDPXPPLI-UHFFFAOYSA-N
XLogP2.96
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol?
The IUPAC name of 3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol (CID 56966840) is 3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol.
What is the SMILES notation for 3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol?
The canonical SMILES for 3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol is Oc1cccc(-c2cn3cc(C(F)(F)F)nc3c(N3CCOCC3)n2)c1.
What is the InChIKey of 3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol?
The InChIKey is CYHPIECDPXPPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c18-17(19,20)14-10-24-9-13(11-2-1-3-12(25)8-11)21-15(16(24)22-14)23-4-6-26-7-5-23/h1-3,8-10,25H,4-7H2.
What are the key properties of 3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol?
3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol has a molecular weight of 364.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-morpholin-4-yl-2-(trifluoromethyl)imidazo[1,2-a]pyrazin-6-yl]phenol is sourced from PubChem (CID 56966840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).