3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol

C35H46F3N3O3Si — CID 148565879

IUPAC3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol
SMILESC[C@@H]1CN(c2ccncc2CCc2ccc(F)c(-c3c(F)cc(C4(O)CCOC4)cc3F)n2)C[C@H](C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H46F3N3O3Si/c1-22-19-41(20-23(2)33(22)44-45(6,7)34(3,4)5)30-12-14-39-18-24(30)8-9-26-10-11-27(36)32(40-26)31-28(37)16-25(17-29(31)38)35(42)13-15-43-21-35/h10-12,14,16-18,22-23,33,42H,8-9,13,15,19-21H2,1-7H3/t22-,23+,33?,35?
InChIKeyMVXLAEGZQAGLHK-XWMGBQCBSA-N
MW641.85 g/mol
LogP7.44
Rot. Bonds8

About 3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol

3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol (PubChem CID 148565879) has the molecular formula C35H46F3N3O3Si and a molecular weight of 641.85 g/mol. Its IUPAC name is 3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol
PubChem CID148565879
Molecular FormulaC35H46F3N3O3Si
Molecular Weight641.85 g/mol
Exact Mass641.33
IUPAC Name3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol
SMILESC[C@@H]1CN(c2ccncc2CCc2ccc(F)c(-c3c(F)cc(C4(O)CCOC4)cc3F)n2)C[C@H](C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C35H46F3N3O3Si/c1-22-19-41(20-23(2)33(22)44-45(6,7)34(3,4)5)30-12-14-39-18-24(30)8-9-26-10-11-27(36)32(40-26)31-28(37)16-25(17-29(31)38)35(42)13-15-43-21-35/h10-12,14,16-18,22-23,33,42H,8-9,13,15,19-21H2,1-7H3/t22-,23+,33?,35?
InChIKeyMVXLAEGZQAGLHK-XWMGBQCBSA-N
XLogP7.44
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.85
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol 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 3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol?
The IUPAC name of 3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol (CID 148565879) is 3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol.
What is the SMILES notation for 3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol?
The canonical SMILES for 3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol is C[C@@H]1CN(c2ccncc2CCc2ccc(F)c(-c3c(F)cc(C4(O)CCOC4)cc3F)n2)C[C@H](C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol?
The InChIKey is MVXLAEGZQAGLHK-XWMGBQCBSA-N. The full InChI is InChI=1S/C35H46F3N3O3Si/c1-22-19-41(20-23(2)33(22)44-45(6,7)34(3,4)5)30-12-14-39-18-24(30)8-9-26-10-11-27(36)32(40-26)31-28(37)16-25(17-29(31)38)35(42)13-15-43-21-35/h10-12,14,16-18,22-23,33,42H,8-9,13,15,19-21H2,1-7H3/t22-,23+,33?,35?.
What are the key properties of 3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol?
3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol has a molecular weight of 641.85 g/mol, XLogP of 7.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-[2-[4-[(3S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]ethyl]-3-fluoro-2-pyridinyl]-3,5-difluorophenyl]oxolan-3-ol is sourced from PubChem (CID 148565879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).