(3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one

C24H33FN2O3Si — CID 20611479

IUPAC(3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2c2ncccc2F)cc1
InChIInChI=1S/C24H33FN2O3Si/c1-15(2)31(16(3)4,17(5)6)30-23-22(21-20(25)9-8-14-26-21)27(24(23)28)18-10-12-19(29-7)13-11-18/h8-17,22-23H,1-7H3/t22-,23+/m0/s1
InChIKeyLNEZQYQJUXYBEN-XZOQPEGZSA-N
MW444.62 g/mol
LogP5.88
Rot. Bonds8

About (3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one

(3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 20611479) has the molecular formula C24H33FN2O3Si and a molecular weight of 444.62 g/mol. Its IUPAC name is (3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID20611479
Molecular FormulaC24H33FN2O3Si
Molecular Weight444.62 g/mol
Exact Mass444.22
IUPAC Name(3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESCOc1ccc(N2C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2c2ncccc2F)cc1
InChIInChI=1S/C24H33FN2O3Si/c1-15(2)31(16(3)4,17(5)6)30-23-22(21-20(25)9-8-14-26-21)27(24(23)28)18-10-12-19(29-7)13-11-18/h8-17,22-23H,1-7H3/t22-,23+/m0/s1
InChIKeyLNEZQYQJUXYBEN-XZOQPEGZSA-N
XLogP5.88
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 20611479) is (3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is COc1ccc(N2C(=O)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2c2ncccc2F)cc1.
What is the InChIKey of (3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is LNEZQYQJUXYBEN-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H33FN2O3Si/c1-15(2)31(16(3)4,17(5)6)30-23-22(21-20(25)9-8-14-26-21)27(24(23)28)18-10-12-19(29-7)13-11-18/h8-17,22-23H,1-7H3/t22-,23+/m0/s1.
What are the key properties of (3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
(3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 444.62 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(3-fluoro-2-pyridinyl)-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 20611479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).