3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol

C23H22F3N3O5 — CID 123650337

IUPAC3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol
SMILESOCC(O)COc1cc(C(O)N2CCOc3ccc(-c4cccc(C(F)(F)F)c4)nc32)ccn1
InChIInChI=1S/C23H22F3N3O5/c24-23(25,26)16-3-1-2-14(10-16)18-4-5-19-21(28-18)29(8-9-33-19)22(32)15-6-7-27-20(11-15)34-13-17(31)12-30/h1-7,10-11,17,22,30-32H,8-9,12-13H2
InChIKeyOFLIWWULZUGFMZ-UHFFFAOYSA-N
MW477.44 g/mol
LogP2.78
Rot. Bonds7

About 3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol

3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol (PubChem CID 123650337) has the molecular formula C23H22F3N3O5 and a molecular weight of 477.44 g/mol. Its IUPAC name is 3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol
PubChem CID123650337
Molecular FormulaC23H22F3N3O5
Molecular Weight477.44 g/mol
Exact Mass477.15
IUPAC Name3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol
SMILESOCC(O)COc1cc(C(O)N2CCOc3ccc(-c4cccc(C(F)(F)F)c4)nc32)ccn1
InChIInChI=1S/C23H22F3N3O5/c24-23(25,26)16-3-1-2-14(10-16)18-4-5-19-21(28-18)29(8-9-33-19)22(32)15-6-7-27-20(11-15)34-13-17(31)12-30/h1-7,10-11,17,22,30-32H,8-9,12-13H2
InChIKeyOFLIWWULZUGFMZ-UHFFFAOYSA-N
XLogP2.78
TPSA108.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol with MolForge

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Related Compounds

(S)-3-(3,3-difluoropyrrolidin-1-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)-5'-H-spiro[chromeno[2,3-c]pyridine-5,4'-oxazol]-2'-amine
CID 53464257
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-fluoropyrrolidin-1-yl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53464567
(4S)-3'-(4,4-difluoropiperidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53464945
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466120
(4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466295
(4S)-3'-(3,3-difluoropyrrolidin-1-yl)-7'-(2-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466300
(4S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3R)-3-fluoropyrrolidin-1-yl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 118725864
(4S)-7'-(2-fluoro-3-pyridinyl)-3'-[(3S)-3-fluoropyrrolidin-1-yl]spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53464941
2,2,2-trifluoro-1-(5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)pyridin-2-yl)ethanol (R or S)
CID 76283269
2,2-difluoro-1-(5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)pyridin-2-yl)ethanol (R or S)
CID 76283764
2-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-(6-morpholin-4-yl-3-pyridinyl)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 90253118
(4S)-7'-(2-fluoro-3-pyridinyl)-3'-morpholin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 118725863

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol?
The IUPAC name of 3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol (CID 123650337) is 3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol.
What is the SMILES notation for 3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol?
The canonical SMILES for 3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol is OCC(O)COc1cc(C(O)N2CCOc3ccc(-c4cccc(C(F)(F)F)c4)nc32)ccn1.
What is the InChIKey of 3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol?
The InChIKey is OFLIWWULZUGFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O5/c24-23(25,26)16-3-1-2-14(10-16)18-4-5-19-21(28-18)29(8-9-33-19)22(32)15-6-7-27-20(11-15)34-13-17(31)12-30/h1-7,10-11,17,22,30-32H,8-9,12-13H2.
What are the key properties of 3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol?
3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol has a molecular weight of 477.44 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[hydroxy-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]methyl]-2-pyridinyl]oxy]propane-1,2-diol is sourced from PubChem (CID 123650337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).