3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine

C18H24N4OSi — CID 68672736

IUPAC3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
SMILESC[Si](C)(C)CCOCn1nc(-c2ccncc2)c2cc(N)ccc21
InChIInChI=1S/C18H24N4OSi/c1-24(2,3)11-10-23-13-22-17-5-4-15(19)12-16(17)18(21-22)14-6-8-20-9-7-14/h4-9,12H,10-11,13,19H2,1-3H3
InChIKeySRSWDSRMVNBMRC-UHFFFAOYSA-N
MW340.50 g/mol
LogP3.99
Rot. Bonds6

About 3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine

3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine (PubChem CID 68672736) has the molecular formula C18H24N4OSi and a molecular weight of 340.50 g/mol. Its IUPAC name is 3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine.

Molecular Properties

Compound Name3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
PubChem CID68672736
Molecular FormulaC18H24N4OSi
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
SMILESC[Si](C)(C)CCOCn1nc(-c2ccncc2)c2cc(N)ccc21
InChIInChI=1S/C18H24N4OSi/c1-24(2,3)11-10-23-13-22-17-5-4-15(19)12-16(17)18(21-22)14-6-8-20-9-7-14/h4-9,12H,10-11,13,19H2,1-3H3
InChIKeySRSWDSRMVNBMRC-UHFFFAOYSA-N
XLogP3.99
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
The IUPAC name of 3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine (CID 68672736) is 3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine.
What is the SMILES notation for 3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
The canonical SMILES for 3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine is C[Si](C)(C)CCOCn1nc(-c2ccncc2)c2cc(N)ccc21.
What is the InChIKey of 3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
The InChIKey is SRSWDSRMVNBMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OSi/c1-24(2,3)11-10-23-13-22-17-5-4-15(19)12-16(17)18(21-22)14-6-8-20-9-7-14/h4-9,12H,10-11,13,19H2,1-3H3.
What are the key properties of 3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine?
3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine has a molecular weight of 340.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)indazol-5-amine is sourced from PubChem (CID 68672736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).