3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde

C18H26N2O3Si — CID 58407607

IUPAC3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde
SMILESC[Si](C)(C)CCOCn1nc(OCC2CC2)c2cc(C=O)ccc21
InChIInChI=1S/C18H26N2O3Si/c1-24(2,3)9-8-22-13-20-17-7-6-15(11-21)10-16(17)18(19-20)23-12-14-4-5-14/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3
InChIKeyVIVHLSOVCINPBB-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.95
Rot. Bonds9

About 3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde

3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde (PubChem CID 58407607) has the molecular formula C18H26N2O3Si and a molecular weight of 346.50 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde
PubChem CID58407607
Molecular FormulaC18H26N2O3Si
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde
SMILESC[Si](C)(C)CCOCn1nc(OCC2CC2)c2cc(C=O)ccc21
InChIInChI=1S/C18H26N2O3Si/c1-24(2,3)9-8-22-13-20-17-7-6-15(11-21)10-16(17)18(19-20)23-12-14-4-5-14/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3
InChIKeyVIVHLSOVCINPBB-UHFFFAOYSA-N
XLogP3.95
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde?
The IUPAC name of 3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde (CID 58407607) is 3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde.
What is the SMILES notation for 3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde?
The canonical SMILES for 3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde is C[Si](C)(C)CCOCn1nc(OCC2CC2)c2cc(C=O)ccc21.
What is the InChIKey of 3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde?
The InChIKey is VIVHLSOVCINPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3Si/c1-24(2,3)9-8-22-13-20-17-7-6-15(11-21)10-16(17)18(19-20)23-12-14-4-5-14/h6-7,10-11,14H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of 3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde?
3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde has a molecular weight of 346.50 g/mol, XLogP of 3.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde is sourced from PubChem (CID 58407607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).