(2R)-2-bromo-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]propanamide;(2S)-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide;(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide;5-[(3S)-4,4-difluoropiperidin-3-yl]-1H-pyridin-2-one;methane

C89H112BrF9N12O12Si2 — CID 164955753

About (2R)-2-bromo-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]propanamide;(2S)-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide;(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide;5-[(3S)-4,4-difluoropiperidin-3-yl]-1H-pyridin-2-one;methane

(2R)-2-bromo-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]propanamide;(2S)-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide;(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide;5-[(3S)-4,4-difluoropiperidin-3-yl]-1H-pyridin-2-one;methane (PubChem CID 164955753) has the molecular formula C89H112BrF9N12O12Si2 and a molecular weight of 1849.00 g/mol. Its IUPAC name is (2R)-2-bromo-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]propanamide;(2S)-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide;(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide;5-[(3S)-4,4-difluoropiperidin-3-yl]-1H-pyridin-2-one;methane.

Molecular Properties

• Compound Name: (2R)-2-bromo-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]propanamide;(2S)-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide;(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide;5-[(3S)-4,4-difluoropiperidin-3-yl]-1H-pyridin-2-one;methane
• PubChem CID: 164955753
• Molecular Formula: C89H112BrF9N12O12Si2
• Molecular Weight: 1849.00 g/mol
• Exact Mass: 1846.71
• IUPAC Name: (2R)-2-bromo-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]propanamide;(2S)-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide;(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide;5-[(3S)-4,4-difluoropiperidin-3-yl]-1H-pyridin-2-one;methane
• SMILES: C.C.C[C@@H](Br)C(=O)Nc1ccc(Oc2ccc(F)cc2CO[Si](C)(C)C(C)(C)C)cn1.C[C@@H](C(=O)Nc1ccc(Oc2ccc(F)cc2CO)cn1)N1CCC(F)(F)[C@@H](c2ccc(=O)[nH]c2)C1.C[C@@H](C(=O)Nc1ccc(Oc2ccc(F)cc2CO[Si](C)(C)C(C)(C)C)cn1)N1CCC(F)(F)[C@@H](c2ccc(=O)[nH]c2)C1.O=c1ccc([C@H]2CNCCC2(F)F)c[nH]1
• InChI: InChI=1S/C31H39F3N4O4Si.C25H25F3N4O4.C21H28BrFN2O3Si.C10H12F2N2O.2CH4/c1-20(38-14-13-31(33,34)25(18-38)21-7-12-28(39)36-16-21)29(40)37-27-11-9-24(17-35-27)42-26-10-8-23(32)15-22(26)19-41-43(5,6)30(2,3)4;1-15(32-9-8-25(27,28)20(13-32)16-2-7-23(34)30-11-16)24(35)31-22-6-4-19(12-29-22)36-21-5-3-18(26)10-17(21)14-33;1-14(22)20(26)25-19-10-8-17(12-24-19)28-18-9-7-16(23)11-15(18)13-27-29(5,6)21(2,3)4;11-10(12)3-4-13-6-8(10)7-1-2-9(15)14-5-7;;/h7-12,15-17,20,25H,13-14,18-19H2,1-6H3,(H,36,39)(H,35,37,40);2-7,10-12,15,20,33H,8-9,13-14H2,1H3,(H,30,34)(H,29,31,35);7-12,14H,13H2,1-6H3,(H,24,25,26);1-2,5,8,13H,3-4,6H2,(H,14,15);2*1H4/t20-,25+;15-,20+;14-;8-;;/m0011../s1
• InChIKey: BDJPBZNYOADQKQ-OFAODFMZSA-N
• XLogP: 18.94
• TPSA: 309.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1849.00
LogP ≤ 5	18.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]propanamide;(2S)-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide;(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide;5-[(3S)-4,4-difluoropiperidin-3-yl]-1H-pyridin-2-one;methane?

The IUPAC name of (2R)-2-bromo-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]propanamide;(2S)-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide;(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide;5-[(3S)-4,4-difluoropiperidin-3-yl]-1H-pyridin-2-one;methane (CID 164955753) is (2R)-2-bromo-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]propanamide;(2S)-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide;(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide;5-[(3S)-4,4-difluoropiperidin-3-yl]-1H-pyridin-2-one;methane.

What is the SMILES notation for (2R)-2-bromo-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]propanamide;(2S)-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide;(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide;5-[(3S)-4,4-difluoropiperidin-3-yl]-1H-pyridin-2-one;methane?

The canonical SMILES for (2R)-2-bromo-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]propanamide;(2S)-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide;(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide;5-[(3S)-4,4-difluoropiperidin-3-yl]-1H-pyridin-2-one;methane is C.C.C[C@@H](Br)C(=O)Nc1ccc(Oc2ccc(F)cc2CO[Si](C)(C)C(C)(C)C)cn1.C[C@@H](C(=O)Nc1ccc(Oc2ccc(F)cc2CO)cn1)N1CCC(F)(F)[C@@H](c2ccc(=O)[nH]c2)C1.C[C@@H](C(=O)Nc1ccc(Oc2ccc(F)cc2CO[Si](C)(C)C(C)(C)C)cn1)N1CCC(F)(F)[C@@H](c2ccc(=O)[nH]c2)C1.O=c1ccc([C@H]2CNCCC2(F)F)c[nH]1.

What is the InChIKey of (2R)-2-bromo-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]propanamide;(2S)-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide;(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide;5-[(3S)-4,4-difluoropiperidin-3-yl]-1H-pyridin-2-one;methane?

The InChIKey is BDJPBZNYOADQKQ-OFAODFMZSA-N. The full InChI is InChI=1S/C31H39F3N4O4Si.C25H25F3N4O4.C21H28BrFN2O3Si.C10H12F2N2O.2CH4/c1-20(38-14-13-31(33,34)25(18-38)21-7-12-28(39)36-16-21)29(40)37-27-11-9-24(17-35-27)42-26-10-8-23(32)15-22(26)19-41-43(5,6)30(2,3)4;1-15(32-9-8-25(27,28)20(13-32)16-2-7-23(34)30-11-16)24(35)31-22-6-4-19(12-29-22)36-21-5-3-18(26)10-17(21)14-33;1-14(22)20(26)25-19-10-8-17(12-24-19)28-18-9-7-16(23)11-15(18)13-27-29(5,6)21(2,3)4;11-10(12)3-4-13-6-8(10)7-1-2-9(15)14-5-7;;/h7-12,15-17,20,25H,13-14,18-19H2,1-6H3,(H,36,39)(H,35,37,40);2-7,10-12,15,20,33H,8-9,13-14H2,1H3,(H,30,34)(H,29,31,35);7-12,14H,13H2,1-6H3,(H,24,25,26);1-2,5,8,13H,3-4,6H2,(H,14,15);2*1H4/t20-,25+;15-,20+;14-;8-;;/m0011../s1.

What are the key properties of (2R)-2-bromo-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]propanamide;(2S)-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide;(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide;5-[(3S)-4,4-difluoropiperidin-3-yl]-1H-pyridin-2-one;methane?

(2R)-2-bromo-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]propanamide;(2S)-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide;(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide;5-[(3S)-4,4-difluoropiperidin-3-yl]-1H-pyridin-2-one;methane has a molecular weight of 1849.00 g/mol, XLogP of 18.94, 24 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-bromo-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]propanamide;(2S)-N-[5-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-fluorophenoxy]-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide;(2S)-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-[4-fluoro-2-(hydroxymethyl)phenoxy]-2-pyridinyl]propanamide;5-[(3S)-4,4-difluoropiperidin-3-yl]-1H-pyridin-2-one;methane is sourced from PubChem (CID 164955753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).