3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one

C22H23F3N4O3 — CID 71550562

IUPAC3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESO=c1[nH]c(CN2CC(Oc3ccc(C(F)(F)F)cc3)C2)cn2c(C3CCOCC3)ncc12
InChIInChI=1S/C22H23F3N4O3/c23-22(24,25)15-1-3-17(4-2-15)32-18-12-28(13-18)10-16-11-29-19(21(30)27-16)9-26-20(29)14-5-7-31-8-6-14/h1-4,9,11,14,18H,5-8,10,12-13H2,(H,27,30)
InChIKeyLRZYGSFLGHBHPG-UHFFFAOYSA-N
MW448.45 g/mol
LogP3.20
Rot. Bonds5

About 3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one

3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 71550562) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is 3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID71550562
Molecular FormulaC22H23F3N4O3
Molecular Weight448.45 g/mol
Exact Mass448.17
IUPAC Name3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESO=c1[nH]c(CN2CC(Oc3ccc(C(F)(F)F)cc3)C2)cn2c(C3CCOCC3)ncc12
InChIInChI=1S/C22H23F3N4O3/c23-22(24,25)15-1-3-17(4-2-15)32-18-12-28(13-18)10-16-11-29-19(21(30)27-16)9-26-20(29)14-5-7-31-8-6-14/h1-4,9,11,14,18H,5-8,10,12-13H2,(H,27,30)
InChIKeyLRZYGSFLGHBHPG-UHFFFAOYSA-N
XLogP3.20
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one (CID 71550562) is 3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one is O=c1[nH]c(CN2CC(Oc3ccc(C(F)(F)F)cc3)C2)cn2c(C3CCOCC3)ncc12.
What is the InChIKey of 3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is LRZYGSFLGHBHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c23-22(24,25)15-1-3-17(4-2-15)32-18-12-28(13-18)10-16-11-29-19(21(30)27-16)9-26-20(29)14-5-7-31-8-6-14/h1-4,9,11,14,18H,5-8,10,12-13H2,(H,27,30).
What are the key properties of 3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one?
3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 448.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-yl)-6-[[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]methyl]-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 71550562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).