1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one

C23H32FNO4Si — CID 23929810

IUPAC1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one
SMILESCOc1cccn(-c2ccc(CC[C@@H]3O[C@H](CCO)[C@@H]([Si](C)(C)F)[C@@H]3C)cc2)c1=O
InChIInChI=1S/C23H32FNO4Si/c1-16-19(29-20(13-15-26)22(16)30(3,4)24)12-9-17-7-10-18(11-8-17)25-14-5-6-21(28-2)23(25)27/h5-8,10-11,14,16,19-20,22,26H,9,12-13,15H2,1-4H3/t16-,19+,20-,22+/m1/s1
InChIKeyLBLUVDSIVCVPKH-QEMXTEJRSA-N
MW433.60 g/mol
LogP4.11
Rot. Bonds8

About 1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one

1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one (PubChem CID 23929810) has the molecular formula C23H32FNO4Si and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one.

Molecular Properties

Compound Name1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one
PubChem CID23929810
Molecular FormulaC23H32FNO4Si
Molecular Weight433.60 g/mol
Exact Mass433.21
IUPAC Name1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one
SMILESCOc1cccn(-c2ccc(CC[C@@H]3O[C@H](CCO)[C@@H]([Si](C)(C)F)[C@@H]3C)cc2)c1=O
InChIInChI=1S/C23H32FNO4Si/c1-16-19(29-20(13-15-26)22(16)30(3,4)24)12-9-17-7-10-18(11-8-17)25-14-5-6-21(28-2)23(25)27/h5-8,10-11,14,16,19-20,22,26H,9,12-13,15H2,1-4H3/t16-,19+,20-,22+/m1/s1
InChIKeyLBLUVDSIVCVPKH-QEMXTEJRSA-N
XLogP4.11
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one?
The IUPAC name of 1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one (CID 23929810) is 1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one.
What is the SMILES notation for 1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one?
The canonical SMILES for 1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one is COc1cccn(-c2ccc(CC[C@@H]3O[C@H](CCO)[C@@H]([Si](C)(C)F)[C@@H]3C)cc2)c1=O.
What is the InChIKey of 1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one?
The InChIKey is LBLUVDSIVCVPKH-QEMXTEJRSA-N. The full InChI is InChI=1S/C23H32FNO4Si/c1-16-19(29-20(13-15-26)22(16)30(3,4)24)12-9-17-7-10-18(11-8-17)25-14-5-6-21(28-2)23(25)27/h5-8,10-11,14,16,19-20,22,26H,9,12-13,15H2,1-4H3/t16-,19+,20-,22+/m1/s1.
What are the key properties of 1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one?
1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one has a molecular weight of 433.60 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(2S,3R,4S,5R)-4-[fluoro(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]-3-methoxypyridin-2-one is sourced from PubChem (CID 23929810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).