1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione

C22H29N3O4Si — CID 167442811

IUPAC1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione
SMILESC[Si](C)(C)CCOCn1ncc2c(ccc(=O)n2CCOCc2ccccc2)c1=O
InChIInChI=1S/C22H29N3O4Si/c1-30(2,3)14-13-29-17-25-22(27)19-9-10-21(26)24(20(19)15-23-25)11-12-28-16-18-7-5-4-6-8-18/h4-10,15H,11-14,16-17H2,1-3H3
InChIKeyKXIYSMAGQIYUFH-UHFFFAOYSA-N
MW427.58 g/mol
LogP3.09
Rot. Bonds10

About 1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione

1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione (PubChem CID 167442811) has the molecular formula C22H29N3O4Si and a molecular weight of 427.58 g/mol. Its IUPAC name is 1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione.

Molecular Properties

Compound Name1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione
PubChem CID167442811
Molecular FormulaC22H29N3O4Si
Molecular Weight427.58 g/mol
Exact Mass427.19
IUPAC Name1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione
SMILESC[Si](C)(C)CCOCn1ncc2c(ccc(=O)n2CCOCc2ccccc2)c1=O
InChIInChI=1S/C22H29N3O4Si/c1-30(2,3)14-13-29-17-25-22(27)19-9-10-21(26)24(20(19)15-23-25)11-12-28-16-18-7-5-4-6-8-18/h4-10,15H,11-14,16-17H2,1-3H3
InChIKeyKXIYSMAGQIYUFH-UHFFFAOYSA-N
XLogP3.09
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.58
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione?
The IUPAC name of 1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione (CID 167442811) is 1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione.
What is the SMILES notation for 1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione?
The canonical SMILES for 1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione is C[Si](C)(C)CCOCn1ncc2c(ccc(=O)n2CCOCc2ccccc2)c1=O.
What is the InChIKey of 1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione?
The InChIKey is KXIYSMAGQIYUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4Si/c1-30(2,3)14-13-29-17-25-22(27)19-9-10-21(26)24(20(19)15-23-25)11-12-28-16-18-7-5-4-6-8-18/h4-10,15H,11-14,16-17H2,1-3H3.
What are the key properties of 1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione?
1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione has a molecular weight of 427.58 g/mol, XLogP of 3.09, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione is sourced from PubChem (CID 167442811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).