8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one

C19H23F3N4O4 — CID 167172963

IUPAC8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one
SMILESO=C1CC2CN(C(=O)C(O)COC[C@H]3CCN3)CCN2c2ncc(C(F)(F)F)cc21
InChIInChI=1S/C19H23F3N4O4/c20-19(21,22)11-5-14-15(27)6-13-8-25(3-4-26(13)17(14)24-7-11)18(29)16(28)10-30-9-12-1-2-23-12/h5,7,12-13,16,23,28H,1-4,6,8-10H2/t12-,13?,16?/m1/s1
InChIKeyVFSYQQQDUYHMBJ-VEAWUBTESA-N
MW428.41 g/mol
LogP0.44
Rot. Bonds5

About 8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one

8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one (PubChem CID 167172963) has the molecular formula C19H23F3N4O4 and a molecular weight of 428.41 g/mol. Its IUPAC name is 8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one
PubChem CID167172963
Molecular FormulaC19H23F3N4O4
Molecular Weight428.41 g/mol
Exact Mass428.17
IUPAC Name8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one
SMILESO=C1CC2CN(C(=O)C(O)COC[C@H]3CCN3)CCN2c2ncc(C(F)(F)F)cc21
InChIInChI=1S/C19H23F3N4O4/c20-19(21,22)11-5-14-15(27)6-13-8-25(3-4-26(13)17(14)24-7-11)18(29)16(28)10-30-9-12-1-2-23-12/h5,7,12-13,16,23,28H,1-4,6,8-10H2/t12-,13?,16?/m1/s1
InChIKeyVFSYQQQDUYHMBJ-VEAWUBTESA-N
XLogP0.44
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one with MolForge

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Related Compounds

3-[[(2S)-azetidin-2-yl]methoxy]-2-hydroxy-1-[5-(trifluoromethyl)-1,3,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),3,5-trien-11-yl]propan-1-one
CID 167172943
(6aR)-8-butanoyl-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one
CID 167173521
16-butanoyl-10-methyl-5-(trifluoromethyl)-1,3,16-triazatricyclo[12.4.0.02,7]octadeca-2(7),3,5-trien-8-one
CID 167173380
4-[[(2S)-1-[2-hydroxy-3-oxo-3-[5-(trifluoromethyl)-8-oxa-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-12-yl]propoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 167192754
tert-butyl (11S)-9-methyl-8-oxo-5-(trifluoromethyl)-1,3,9,13-tetrazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-13-carboxylate
CID 171587851
tert-butyl 9-oxo-5-(trifluoromethyl)-1,3,8,13-tetrazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-triene-13-carboxylate
CID 164854793
(11R)-13-butanoyl-8-methyl-5-(trifluoromethyl)-1,3,8,13-tetrazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-9-one
CID 167173525
13-[3-[(2S)-2-[[6-oxo-5-(trifluoromethyl)diazinan-4-yl]amino]propoxy]propanoyl]-5-(trifluoromethyl)-1,3,9,13-tetrazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-8-one
CID 172675588
9-methyl-13-[3-[(2S)-2-[[6-oxo-5-(trifluoromethyl)diazinan-4-yl]amino]propoxy]propanoyl]-5-(trifluoromethyl)-1,3,9,13-tetrazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-8-one
CID 172675589
(11R)-9,13-dimethyl-5-(trifluoromethyl)-1,3,9,13-tetrazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-8-one
CID 167173502
4-[[(2S)-1-[3-oxo-3-[(11S)-5-(trifluoromethyl)-1,3,8,13-tetrazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-13-yl]propoxy]propan-2-yl]amino]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 170428633
tert-butyl 8,8-dioxo-5-(trifluoromethyl)-8λ6-thia-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-12-carboxylate
CID 175961776

Frequently Asked Questions

What is the IUPAC name of 8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one?
The IUPAC name of 8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one (CID 167172963) is 8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one.
What is the SMILES notation for 8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one?
The canonical SMILES for 8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one is O=C1CC2CN(C(=O)C(O)COC[C@H]3CCN3)CCN2c2ncc(C(F)(F)F)cc21.
What is the InChIKey of 8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one?
The InChIKey is VFSYQQQDUYHMBJ-VEAWUBTESA-N. The full InChI is InChI=1S/C19H23F3N4O4/c20-19(21,22)11-5-14-15(27)6-13-8-25(3-4-26(13)17(14)24-7-11)18(29)16(28)10-30-9-12-1-2-23-12/h5,7,12-13,16,23,28H,1-4,6,8-10H2/t12-,13?,16?/m1/s1.
What are the key properties of 8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one?
8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one has a molecular weight of 428.41 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[[(2R)-azetidin-2-yl]methoxy]-2-hydroxypropanoyl]-3-(trifluoromethyl)-6a,7,9,10-tetrahydro-6H-pyrazino[1,2-a][1,8]naphthyridin-5-one is sourced from PubChem (CID 167172963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).