N-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine

C20H26N4OSi — CID 69367734

IUPACN-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine
SMILESC#CNc1ccc2cnn(COCC[Si](C)(C)C)c2c1.c1ccncc1
InChIInChI=1S/C15H21N3OSi.C5H5N/c1-5-16-14-7-6-13-11-17-18(15(13)10-14)12-19-8-9-20(2,3)4;1-2-4-6-5-3-1/h1,6-7,10-11,16H,8-9,12H2,2-4H3;1-5H
InChIKeyRHDBXJZVERTVSM-UHFFFAOYSA-N
MW366.54 g/mol
LogP4.43
Rot. Bonds6

About N-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine

N-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine (PubChem CID 69367734) has the molecular formula C20H26N4OSi and a molecular weight of 366.54 g/mol. Its IUPAC name is N-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine.

Molecular Properties

Compound NameN-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine
PubChem CID69367734
Molecular FormulaC20H26N4OSi
Molecular Weight366.54 g/mol
Exact Mass366.19
IUPAC NameN-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine
SMILESC#CNc1ccc2cnn(COCC[Si](C)(C)C)c2c1.c1ccncc1
InChIInChI=1S/C15H21N3OSi.C5H5N/c1-5-16-14-7-6-13-11-17-18(15(13)10-14)12-19-8-9-20(2,3)4;1-2-4-6-5-3-1/h1,6-7,10-11,16H,8-9,12H2,2-4H3;1-5H
InChIKeyRHDBXJZVERTVSM-UHFFFAOYSA-N
XLogP4.43
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine 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-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine?
The IUPAC name of N-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine (CID 69367734) is N-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine.
What is the SMILES notation for N-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine?
The canonical SMILES for N-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine is C#CNc1ccc2cnn(COCC[Si](C)(C)C)c2c1.c1ccncc1.
What is the InChIKey of N-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine?
The InChIKey is RHDBXJZVERTVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OSi.C5H5N/c1-5-16-14-7-6-13-11-17-18(15(13)10-14)12-19-8-9-20(2,3)4;1-2-4-6-5-3-1/h1,6-7,10-11,16H,8-9,12H2,2-4H3;1-5H.
What are the key properties of N-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine?
N-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine has a molecular weight of 366.54 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethynyl-1-(2-trimethylsilylethoxymethyl)indazol-6-amine;pyridine is sourced from PubChem (CID 69367734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).