3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one

C27H33N3O4Si — CID 66612378

IUPAC3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one
SMILESC[Si](C)(C)CCOCn1ncc2c(c(Cc3ccccc3O)cn2COCc2ccccc2)c1=O
InChIInChI=1S/C27H33N3O4Si/c1-35(2,3)14-13-33-20-30-27(32)26-23(15-22-11-7-8-12-25(22)31)17-29(24(26)16-28-30)19-34-18-21-9-5-4-6-10-21/h4-12,16-17,31H,13-15,18-20H2,1-3H3
InChIKeyFOGJPDRCAMXZRM-UHFFFAOYSA-N
MW491.66 g/mol
LogP4.98
Rot. Bonds11

About 3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one

3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one (PubChem CID 66612378) has the molecular formula C27H33N3O4Si and a molecular weight of 491.66 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one
PubChem CID66612378
Molecular FormulaC27H33N3O4Si
Molecular Weight491.66 g/mol
Exact Mass491.22
IUPAC Name3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one
SMILESC[Si](C)(C)CCOCn1ncc2c(c(Cc3ccccc3O)cn2COCc2ccccc2)c1=O
InChIInChI=1S/C27H33N3O4Si/c1-35(2,3)14-13-33-20-30-27(32)26-23(15-22-11-7-8-12-25(22)31)17-29(24(26)16-28-30)19-34-18-21-9-5-4-6-10-21/h4-12,16-17,31H,13-15,18-20H2,1-3H3
InChIKeyFOGJPDRCAMXZRM-UHFFFAOYSA-N
XLogP4.98
TPSA78.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 54.98
H-Bond Donors ≤ 51
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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Related Compounds

2-benzyl-3-hydroxy-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one
CID 66602800
3-benzyl-2-bromo-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one
CID 66602971
1-(2-phenylmethoxyethyl)-6-(2-trimethylsilylethoxymethyl)pyrido[2,3-d]pyridazine-2,5-dione
CID 167442811
3-(1-butoxyethenyl)-1,5-bis(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one
CID 66603047
ethyl 2-[3-bromo-4-oxo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-1-yl]acetate
CID 165392709
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985
4-chloro-5-methoxy-2-(phenylmethoxymethyl)pyridazin-3-one
CID 90288515
3-ethyl-2-iodo-1,5-bis(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one
CID 66602918
benzyl 2-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 140929543
trimethyl-[2-(phenylmethoxymethoxy)ethyl]silane
CID 15148810
2-bromo-3-(cyclobutyloxymethyl)-1,5-bis(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one
CID 66602614
ethyl 2-[4-oxo-3-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-1-yl]propanoate
CID 165392685

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one?
The IUPAC name of 3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one (CID 66612378) is 3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one?
The canonical SMILES for 3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one is C[Si](C)(C)CCOCn1ncc2c(c(Cc3ccccc3O)cn2COCc2ccccc2)c1=O.
What is the InChIKey of 3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one?
The InChIKey is FOGJPDRCAMXZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4Si/c1-35(2,3)14-13-33-20-30-27(32)26-23(15-22-11-7-8-12-25(22)31)17-29(24(26)16-28-30)19-34-18-21-9-5-4-6-10-21/h4-12,16-17,31H,13-15,18-20H2,1-3H3.
What are the key properties of 3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one?
3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one has a molecular weight of 491.66 g/mol, XLogP of 4.98, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methyl]-1-(phenylmethoxymethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyridazin-4-one is sourced from PubChem (CID 66612378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).