5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine

C26H33F2N7O3Si — CID 177157470

IUPAC5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCOCCOc1cc(-c2cnn(COCC[Si](C)(C)C)c2F)ccc1Nc1nc(-c2ccc(F)nc2)nn1C
InChIInChI=1S/C26H33F2N7O3Si/c1-34-26(32-25(33-34)19-7-9-23(27)29-15-19)31-21-8-6-18(14-22(21)38-11-10-36-2)20-16-30-35(24(20)28)17-37-12-13-39(3,4)5/h6-9,14-16H,10-13,17H2,1-5H3,(H,31,32,33)
InChIKeyBKRVQKNWOURGQO-UHFFFAOYSA-N
MW557.68 g/mol
LogP5.10
Rot. Bonds13

About 5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine

5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine (PubChem CID 177157470) has the molecular formula C26H33F2N7O3Si and a molecular weight of 557.68 g/mol. Its IUPAC name is 5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine
PubChem CID177157470
Molecular FormulaC26H33F2N7O3Si
Molecular Weight557.68 g/mol
Exact Mass557.24
IUPAC Name5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine
SMILESCOCCOc1cc(-c2cnn(COCC[Si](C)(C)C)c2F)ccc1Nc1nc(-c2ccc(F)nc2)nn1C
InChIInChI=1S/C26H33F2N7O3Si/c1-34-26(32-25(33-34)19-7-9-23(27)29-15-19)31-21-8-6-18(14-22(21)38-11-10-36-2)20-16-30-35(24(20)28)17-37-12-13-39(3,4)5/h6-9,14-16H,10-13,17H2,1-5H3,(H,31,32,33)
InChIKeyBKRVQKNWOURGQO-UHFFFAOYSA-N
XLogP5.10
TPSA101.14 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.68
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine 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 5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine (CID 177157470) is 5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine is COCCOc1cc(-c2cnn(COCC[Si](C)(C)C)c2F)ccc1Nc1nc(-c2ccc(F)nc2)nn1C.
What is the InChIKey of 5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine?
The InChIKey is BKRVQKNWOURGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F2N7O3Si/c1-34-26(32-25(33-34)19-7-9-23(27)29-15-19)31-21-8-6-18(14-22(21)38-11-10-36-2)20-16-30-35(24(20)28)17-37-12-13-39(3,4)5/h6-9,14-16H,10-13,17H2,1-5H3,(H,31,32,33).
What are the key properties of 5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine?
5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine has a molecular weight of 557.68 g/mol, XLogP of 5.10, 13 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-3-pyridinyl)-N-[4-[5-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-(2-methoxyethoxy)phenyl]-2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 177157470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).