1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one

C21H31N3O4SSi — CID 59704480

IUPAC1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccc(-n3ccc(S(C)(=O)=O)cc3=O)cn2)C1
InChIInChI=1S/C21H31N3O4SSi/c1-21(2,3)30(5,6)28-17-9-11-23(15-17)19-8-7-16(14-22-19)24-12-10-18(13-20(24)25)29(4,26)27/h7-8,10,12-14,17H,9,11,15H2,1-6H3/t17-/m1/s1
InChIKeyXAZORQFFHFWWAD-QGZVFWFLSA-N
MW449.65 g/mol
LogP3.24
Rot. Bonds5

About 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one

1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one (PubChem CID 59704480) has the molecular formula C21H31N3O4SSi and a molecular weight of 449.65 g/mol. Its IUPAC name is 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one.

Molecular Properties

Compound Name1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one
PubChem CID59704480
Molecular FormulaC21H31N3O4SSi
Molecular Weight449.65 g/mol
Exact Mass449.18
IUPAC Name1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccc(-n3ccc(S(C)(=O)=O)cc3=O)cn2)C1
InChIInChI=1S/C21H31N3O4SSi/c1-21(2,3)30(5,6)28-17-9-11-23(15-17)19-8-7-16(14-22-19)24-12-10-18(13-20(24)25)29(4,26)27/h7-8,10,12-14,17H,9,11,15H2,1-6H3/t17-/m1/s1
InChIKeyXAZORQFFHFWWAD-QGZVFWFLSA-N
XLogP3.24
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.65
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one?
The IUPAC name of 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one (CID 59704480) is 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one.
What is the SMILES notation for 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one?
The canonical SMILES for 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccc(-n3ccc(S(C)(=O)=O)cc3=O)cn2)C1.
What is the InChIKey of 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one?
The InChIKey is XAZORQFFHFWWAD-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H31N3O4SSi/c1-21(2,3)30(5,6)28-17-9-11-23(15-17)19-8-7-16(14-22-19)24-12-10-18(13-20(24)25)29(4,26)27/h7-8,10,12-14,17H,9,11,15H2,1-6H3/t17-/m1/s1.
What are the key properties of 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one?
1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one has a molecular weight of 449.65 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-methylsulfonylpyridin-2-one is sourced from PubChem (CID 59704480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).