1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one

C22H30FNO5Si — CID 23788462

IUPAC1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one
SMILESCOc1cccn(-c2ccc3c(c2)[C@H](OC)[C@@H](C)[C@H](C(CCO)[Si](C)(C)F)O3)c1=O
InChIInChI=1S/C22H30FNO5Si/c1-14-20(28-3)16-13-15(24-11-6-7-18(27-2)22(24)26)8-9-17(16)29-21(14)19(10-12-25)30(4,5)23/h6-9,11,13-14,19-21,25H,10,12H2,1-5H3/t14-,19?,20-,21-/m1/s1
InChIKeyPSSHIYCTOXNBJV-FEHUSIJLSA-N
MW435.57 g/mol
LogP3.86
Rot. Bonds7

About 1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one

1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one (PubChem CID 23788462) has the molecular formula C22H30FNO5Si and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one.

Molecular Properties

Compound Name1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one
PubChem CID23788462
Molecular FormulaC22H30FNO5Si
Molecular Weight435.57 g/mol
Exact Mass435.19
IUPAC Name1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one
SMILESCOc1cccn(-c2ccc3c(c2)[C@H](OC)[C@@H](C)[C@H](C(CCO)[Si](C)(C)F)O3)c1=O
InChIInChI=1S/C22H30FNO5Si/c1-14-20(28-3)16-13-15(24-11-6-7-18(27-2)22(24)26)8-9-17(16)29-21(14)19(10-12-25)30(4,5)23/h6-9,11,13-14,19-21,25H,10,12H2,1-5H3/t14-,19?,20-,21-/m1/s1
InChIKeyPSSHIYCTOXNBJV-FEHUSIJLSA-N
XLogP3.86
TPSA69.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one?
The IUPAC name of 1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one (CID 23788462) is 1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one.
What is the SMILES notation for 1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one?
The canonical SMILES for 1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one is COc1cccn(-c2ccc3c(c2)[C@H](OC)[C@@H](C)[C@H](C(CCO)[Si](C)(C)F)O3)c1=O.
What is the InChIKey of 1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one?
The InChIKey is PSSHIYCTOXNBJV-FEHUSIJLSA-N. The full InChI is InChI=1S/C22H30FNO5Si/c1-14-20(28-3)16-13-15(24-11-6-7-18(27-2)22(24)26)8-9-17(16)29-21(14)19(10-12-25)30(4,5)23/h6-9,11,13-14,19-21,25H,10,12H2,1-5H3/t14-,19?,20-,21-/m1/s1.
What are the key properties of 1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one?
1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one has a molecular weight of 435.57 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R)-2-[1-[fluoro(dimethyl)silyl]-3-hydroxypropyl]-4-methoxy-3-methyl-3,4-dihydro-2H-chromen-6-yl]-3-methoxypyridin-2-one is sourced from PubChem (CID 23788462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).