N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide

C33H41F2N5O3Si — CID 172628587

IUPACN-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3=CC4(CF)C=CC(CF)(C3)O4)ccc2NC(=O)c2nc(C#N)cn2COCC[Si](C)(C)C)CC1
InChIInChI=1S/C33H41F2N5O3Si/c1-31(2)10-8-23(9-11-31)28-27(7-6-26(38-28)24-16-32(20-34)12-13-33(17-24,21-35)43-32)39-30(41)29-37-25(18-36)19-40(29)22-42-14-15-44(3,4)5/h6-8,12-13,16,19H,9-11,14-15,17,20-22H2,1-5H3,(H,39,41)
InChIKeyNAWFNZNPKZBECX-UHFFFAOYSA-N
MW621.81 g/mol
LogP7.10
Rot. Bonds11

About N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide

N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide (PubChem CID 172628587) has the molecular formula C33H41F2N5O3Si and a molecular weight of 621.81 g/mol. Its IUPAC name is N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
PubChem CID172628587
Molecular FormulaC33H41F2N5O3Si
Molecular Weight621.81 g/mol
Exact Mass621.29
IUPAC NameN-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2nc(C3=CC4(CF)C=CC(CF)(C3)O4)ccc2NC(=O)c2nc(C#N)cn2COCC[Si](C)(C)C)CC1
InChIInChI=1S/C33H41F2N5O3Si/c1-31(2)10-8-23(9-11-31)28-27(7-6-26(38-28)24-16-32(20-34)12-13-33(17-24,21-35)43-32)39-30(41)29-37-25(18-36)19-40(29)22-42-14-15-44(3,4)5/h6-8,12-13,16,19H,9-11,14-15,17,20-22H2,1-5H3,(H,39,41)
InChIKeyNAWFNZNPKZBECX-UHFFFAOYSA-N
XLogP7.10
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.81
LogP ≤ 57.10
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
The IUPAC name of N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide (CID 172628587) is N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide.
What is the SMILES notation for N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
The canonical SMILES for N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide is CC1(C)CC=C(c2nc(C3=CC4(CF)C=CC(CF)(C3)O4)ccc2NC(=O)c2nc(C#N)cn2COCC[Si](C)(C)C)CC1.
What is the InChIKey of N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
The InChIKey is NAWFNZNPKZBECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41F2N5O3Si/c1-31(2)10-8-23(9-11-31)28-27(7-6-26(38-28)24-16-32(20-34)12-13-33(17-24,21-35)43-32)39-30(41)29-37-25(18-36)19-40(29)22-42-14-15-44(3,4)5/h6-8,12-13,16,19H,9-11,14-15,17,20-22H2,1-5H3,(H,39,41).
What are the key properties of N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide?
N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide has a molecular weight of 621.81 g/mol, XLogP of 7.10, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1,5-bis(fluoromethyl)-8-oxabicyclo[3.2.1]octa-2,6-dien-3-yl]-2-(4,4-dimethylcyclohexen-1-yl)-3-pyridinyl]-4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide is sourced from PubChem (CID 172628587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).