3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine

C19H27N3OSi — CID 171084513

IUPAC3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine
SMILESCc1c(N)cc2c(c(C)nn2C2CCCCO2)c1C#C[Si](C)(C)C
InChIInChI=1S/C19H27N3OSi/c1-13-15(9-11-24(3,4)5)19-14(2)21-22(17(19)12-16(13)20)18-8-6-7-10-23-18/h12,18H,6-8,10,20H2,1-5H3
InChIKeyWJMNUVDQUCJTSJ-UHFFFAOYSA-N
MW341.53 g/mol
LogP4.16
Rot. Bonds1

About 3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine

3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine (PubChem CID 171084513) has the molecular formula C19H27N3OSi and a molecular weight of 341.53 g/mol. Its IUPAC name is 3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine
PubChem CID171084513
Molecular FormulaC19H27N3OSi
Molecular Weight341.53 g/mol
Exact Mass341.19
IUPAC Name3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine
SMILESCc1c(N)cc2c(c(C)nn2C2CCCCO2)c1C#C[Si](C)(C)C
InChIInChI=1S/C19H27N3OSi/c1-13-15(9-11-24(3,4)5)19-14(2)21-22(17(19)12-16(13)20)18-8-6-7-10-23-18/h12,18H,6-8,10,20H2,1-5H3
InChIKeyWJMNUVDQUCJTSJ-UHFFFAOYSA-N
XLogP4.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-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 3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine?
The IUPAC name of 3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine (CID 171084513) is 3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine.
What is the SMILES notation for 3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine?
The canonical SMILES for 3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine is Cc1c(N)cc2c(c(C)nn2C2CCCCO2)c1C#C[Si](C)(C)C.
What is the InChIKey of 3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine?
The InChIKey is WJMNUVDQUCJTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OSi/c1-13-15(9-11-24(3,4)5)19-14(2)21-22(17(19)12-16(13)20)18-8-6-7-10-23-18/h12,18H,6-8,10,20H2,1-5H3.
What are the key properties of 3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine?
3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine has a molecular weight of 341.53 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(oxan-2-yl)-4-(2-trimethylsilylethynyl)indazol-6-amine is sourced from PubChem (CID 171084513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).