2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide

C22H34FN5O3Si — CID 160996950

IUPAC2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide
SMILESCc1nc(-c2cnc(O[C@@H]3CCN(C)C[C@@H]3F)c(C(N)=O)c2)cn1COCC[Si](C)(C)C
InChIInChI=1S/C22H34FN5O3Si/c1-15-26-19(13-28(15)14-30-8-9-32(3,4)5)16-10-17(21(24)29)22(25-11-16)31-20-6-7-27(2)12-18(20)23/h10-11,13,18,20H,6-9,12,14H2,1-5H3,(H2,24,29)/t18-,20+/m0/s1
InChIKeyTVJKJGBYMHIAKK-AZUAARDMSA-N
MW463.63 g/mol
LogP3.09
Rot. Bonds9

About 2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide

2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide (PubChem CID 160996950) has the molecular formula C22H34FN5O3Si and a molecular weight of 463.63 g/mol. Its IUPAC name is 2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide
PubChem CID160996950
Molecular FormulaC22H34FN5O3Si
Molecular Weight463.63 g/mol
Exact Mass463.24
IUPAC Name2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide
SMILESCc1nc(-c2cnc(O[C@@H]3CCN(C)C[C@@H]3F)c(C(N)=O)c2)cn1COCC[Si](C)(C)C
InChIInChI=1S/C22H34FN5O3Si/c1-15-26-19(13-28(15)14-30-8-9-32(3,4)5)16-10-17(21(24)29)22(25-11-16)31-20-6-7-27(2)12-18(20)23/h10-11,13,18,20H,6-9,12,14H2,1-5H3,(H2,24,29)/t18-,20+/m0/s1
InChIKeyTVJKJGBYMHIAKK-AZUAARDMSA-N
XLogP3.09
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide (CID 160996950) is 2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide is Cc1nc(-c2cnc(O[C@@H]3CCN(C)C[C@@H]3F)c(C(N)=O)c2)cn1COCC[Si](C)(C)C.
What is the InChIKey of 2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide?
The InChIKey is TVJKJGBYMHIAKK-AZUAARDMSA-N. The full InChI is InChI=1S/C22H34FN5O3Si/c1-15-26-19(13-28(15)14-30-8-9-32(3,4)5)16-10-17(21(24)29)22(25-11-16)31-20-6-7-27(2)12-18(20)23/h10-11,13,18,20H,6-9,12,14H2,1-5H3,(H2,24,29)/t18-,20+/m0/s1.
What are the key properties of 2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide?
2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide has a molecular weight of 463.63 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]oxy-5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 160996950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).