5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide

C30H38F3N5O5Si — CID 140814417

IUPAC5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide
SMILESCc1nc(-c2cnc(OC3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)c(C(N)=O)c2)cn1COCC[Si](C)(C)C
InChIInChI=1S/C30H38F3N5O5Si/c1-20-36-26(18-38(20)19-41-13-14-44(2,3)4)22-16-25(28(34)40)29(35-17-22)42-23-9-11-37(12-10-23)27(39)15-21-5-7-24(8-6-21)43-30(31,32)33/h5-8,16-18,23H,9-15,19H2,1-4H3,(H2,34,40)
InChIKeyHPYUJRRDXRWNFZ-UHFFFAOYSA-N
MW633.74 g/mol
LogP5.18
Rot. Bonds12

About 5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide

5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide (PubChem CID 140814417) has the molecular formula C30H38F3N5O5Si and a molecular weight of 633.74 g/mol. Its IUPAC name is 5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide
PubChem CID140814417
Molecular FormulaC30H38F3N5O5Si
Molecular Weight633.74 g/mol
Exact Mass633.26
IUPAC Name5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide
SMILESCc1nc(-c2cnc(OC3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)c(C(N)=O)c2)cn1COCC[Si](C)(C)C
InChIInChI=1S/C30H38F3N5O5Si/c1-20-36-26(18-38(20)19-41-13-14-44(2,3)4)22-16-25(28(34)40)29(35-17-22)42-23-9-11-37(12-10-23)27(39)15-21-5-7-24(8-6-21)43-30(31,32)33/h5-8,16-18,23H,9-15,19H2,1-4H3,(H2,34,40)
InChIKeyHPYUJRRDXRWNFZ-UHFFFAOYSA-N
XLogP5.18
TPSA121.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.74
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The IUPAC name of 5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide (CID 140814417) is 5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide is Cc1nc(-c2cnc(OC3CCN(C(=O)Cc4ccc(OC(F)(F)F)cc4)CC3)c(C(N)=O)c2)cn1COCC[Si](C)(C)C.
What is the InChIKey of 5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide?
The InChIKey is HPYUJRRDXRWNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F3N5O5Si/c1-20-36-26(18-38(20)19-41-13-14-44(2,3)4)22-16-25(28(34)40)29(35-17-22)42-23-9-11-37(12-10-23)27(39)15-21-5-7-24(8-6-21)43-30(31,32)33/h5-8,16-18,23H,9-15,19H2,1-4H3,(H2,34,40).
What are the key properties of 5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide?
5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide has a molecular weight of 633.74 g/mol, XLogP of 5.18, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 140814417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).