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'}

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Related Compounds

4-bromo-6-chloro-3,5-dimethyl-1-(oxan-2-yl)indazole
CID 169184718
3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
3,5-dimethyl-1-(oxan-2-yl)indazole
CID 144555145
ethane;4-fluoro-3-methyl-1-(oxan-2-yl)indazole
CID 144574984
[3-methyl-1-(oxan-2-yl)indazol-4-yl]methanamine
CID 71272763
3-bromo-6-methyl-1-(oxan-2-yl)indazole
CID 175654003
7-amino-4-methyl-2-(oxan-2-yl)phthalazin-1-one
CID 151522499
3-methyl-1-(oxan-2-yl)pyrazolo[5,4-c]pyridine
CID 141359548
1-(oxan-2-yl)-6-[2-tri(propan-2-yl)silylethynyl]indazol-5-amine
CID 171567743
5-iodo-3-methyl-1-(oxan-2-yl)pyrazole
CID 56776945
3-methyl-4-(1-methylpiperidin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-ol
CID 171465859
5-bromo-1-(oxan-2-yl)pyrazole-3-carbonitrile
CID 167513885

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).