ethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide

C53H69F2IN8O6Si2 — CID 157234859

IUPACethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide
SMILESC#C[SiH](C)C.COc1nc(NC(C)=O)c(C#C[Si](C)(C)C)cc1C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C.COc1nc(NC(C)=O)c(I)cc1C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C
InChIInChI=1S/C27H35FN4O3Si.C22H26FIN4O3.C4H8Si/c1-18-16-32(19(2)15-31(18)17-21-8-10-23(28)11-9-21)27(34)24-14-22(12-13-36(5,6)7)25(29-20(3)33)30-26(24)35-4;1-13-11-28(14(2)10-27(13)12-16-5-7-17(23)8-6-16)22(30)18-9-19(24)20(25-15(3)29)26-21(18)31-4;1-4-5(2)3/h8-11,14,18-19H,15-17H2,1-7H3,(H,29,30,33);5-9,13-14H,10-12H2,1-4H3,(H,25,26,29);1,5H,2-3H3/t18-,19+;13-,14+;/m00./s1
InChIKeyAUNAHBHNICGEQG-QHVCBYHUSA-N
MW1135.26 g/mol
LogP8.32
Rot. Bonds10

About ethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide

ethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide (PubChem CID 157234859) has the molecular formula C53H69F2IN8O6Si2 and a molecular weight of 1135.26 g/mol. Its IUPAC name is ethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Nameethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide
PubChem CID157234859
Molecular FormulaC53H69F2IN8O6Si2
Molecular Weight1135.26 g/mol
Exact Mass1134.39
IUPAC Nameethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide
SMILESC#C[SiH](C)C.COc1nc(NC(C)=O)c(C#C[Si](C)(C)C)cc1C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C.COc1nc(NC(C)=O)c(I)cc1C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C
InChIInChI=1S/C27H35FN4O3Si.C22H26FIN4O3.C4H8Si/c1-18-16-32(19(2)15-31(18)17-21-8-10-23(28)11-9-21)27(34)24-14-22(12-13-36(5,6)7)25(29-20(3)33)30-26(24)35-4;1-13-11-28(14(2)10-27(13)12-16-5-7-17(23)8-6-16)22(30)18-9-19(24)20(25-15(3)29)26-21(18)31-4;1-4-5(2)3/h8-11,14,18-19H,15-17H2,1-7H3,(H,29,30,33);5-9,13-14H,10-12H2,1-4H3,(H,25,26,29);1,5H,2-3H3/t18-,19+;13-,14+;/m00./s1
InChIKeyAUNAHBHNICGEQG-QHVCBYHUSA-N
XLogP8.32
TPSA149.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.26
LogP ≤ 58.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze ethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide?
The IUPAC name of ethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide (CID 157234859) is ethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide.
What is the SMILES notation for ethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide?
The canonical SMILES for ethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide is C#C[SiH](C)C.COc1nc(NC(C)=O)c(C#C[Si](C)(C)C)cc1C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C.COc1nc(NC(C)=O)c(I)cc1C(=O)N1C[C@H](C)N(Cc2ccc(F)cc2)C[C@H]1C.
What is the InChIKey of ethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide?
The InChIKey is AUNAHBHNICGEQG-QHVCBYHUSA-N. The full InChI is InChI=1S/C27H35FN4O3Si.C22H26FIN4O3.C4H8Si/c1-18-16-32(19(2)15-31(18)17-21-8-10-23(28)11-9-21)27(34)24-14-22(12-13-36(5,6)7)25(29-20(3)33)30-26(24)35-4;1-13-11-28(14(2)10-27(13)12-16-5-7-17(23)8-6-16)22(30)18-9-19(24)20(25-15(3)29)26-21(18)31-4;1-4-5(2)3/h8-11,14,18-19H,15-17H2,1-7H3,(H,29,30,33);5-9,13-14H,10-12H2,1-4H3,(H,25,26,29);1,5H,2-3H3/t18-,19+;13-,14+;/m00./s1.
What are the key properties of ethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide?
ethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide has a molecular weight of 1135.26 g/mol, XLogP of 8.32, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethynyl(dimethyl)silane;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-3-iodo-6-methoxy-2-pyridinyl]acetamide;N-[5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-6-methoxy-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 157234859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).