N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide

C26H30FN3O4Si — CID 159500159

IUPACN-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide
SMILESCOCc1ccc([C@@H](NC(=O)Cn2ccc(=O)cn2)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C26H30FN3O4Si/c1-34-17-18-5-8-20(9-6-18)26(29-25(33)16-30-12-11-21(31)15-28-30)23(32)14-19-7-10-24(22(27)13-19)35(2,3)4/h5-13,15,26H,14,16-17H2,1-4H3,(H,29,33)/t26-/m1/s1
InChIKeyLZHACYHCHWTDEO-AREMUKBSSA-N
MW495.63 g/mol
LogP2.74
Rot. Bonds10

About N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide

N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide (PubChem CID 159500159) has the molecular formula C26H30FN3O4Si and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide
PubChem CID159500159
Molecular FormulaC26H30FN3O4Si
Molecular Weight495.63 g/mol
Exact Mass495.20
IUPAC NameN-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide
SMILESCOCc1ccc([C@@H](NC(=O)Cn2ccc(=O)cn2)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1
InChIInChI=1S/C26H30FN3O4Si/c1-34-17-18-5-8-20(9-6-18)26(29-25(33)16-30-12-11-21(31)15-28-30)23(32)14-19-7-10-24(22(27)13-19)35(2,3)4/h5-13,15,26H,14,16-17H2,1-4H3,(H,29,33)/t26-/m1/s1
InChIKeyLZHACYHCHWTDEO-AREMUKBSSA-N
XLogP2.74
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-methylsulfonylacetamide
CID 152913842
N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(oxan-4-yl)acetamide
CID 152977183
2,2-difluoro-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]cyclopropane-1-carboxamide
CID 162055758
N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(6-oxopyrimidin-1-yl)acetyl]amino]acetamide
CID 140781164
(3R)-N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-hydroxypyrrolidine-1-carboxamide
CID 162043493
N-(2,5-difluoro-4-trimethylsilylphenyl)-2-[(2-indazol-1-ylacetyl)amino]-2-[4-(methoxymethyl)phenyl]acetamide
CID 140781326
(4-nitrophenyl) N-[(1R)-2-(3-fluoro-4-trimethylsilylanilino)-1-[4-(methoxymethyl)phenyl]-2-oxoethyl]carbamate
CID 140781462
2-(3-hydroxyazetidin-1-yl)-N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]acetamide
CID 157345370
N-(3-fluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[methyl(prop-2-enyl)amino]acetamide
CID 140781149
(2R)-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-[4-(methoxymethyl)phenyl]-2-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)acetyl]amino]acetamide
CID 140781260
N-[3-(3-chloro-4-trimethylsilylphenyl)-1-(4-methoxyphenyl)-2-oxopropyl]-3-oxo-1,2-oxazole-5-carboxamide
CID 159677319
N-[1-(4-methoxyphenyl)-2-oxo-3-(4-trimethylsilylphenyl)propyl]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)acetamide
CID 158706491

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide (CID 159500159) is N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide is COCc1ccc([C@@H](NC(=O)Cn2ccc(=O)cn2)C(=O)Cc2ccc([Si](C)(C)C)c(F)c2)cc1.
What is the InChIKey of N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide?
The InChIKey is LZHACYHCHWTDEO-AREMUKBSSA-N. The full InChI is InChI=1S/C26H30FN3O4Si/c1-34-17-18-5-8-20(9-6-18)26(29-25(33)16-30-12-11-21(31)15-28-30)23(32)14-19-7-10-24(22(27)13-19)35(2,3)4/h5-13,15,26H,14,16-17H2,1-4H3,(H,29,33)/t26-/m1/s1.
What are the key properties of N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide?
N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide has a molecular weight of 495.63 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-(3-fluoro-4-trimethylsilylphenyl)-1-[4-(methoxymethyl)phenyl]-2-oxopropyl]-2-(4-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 159500159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).