5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one

C18H22BrN3O3Si — CID 165406438

IUPAC5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one
SMILESC[Si](C)(C)CCOCOc1ccc(N2Cc3cc(Br)ccc3C2=O)nn1
InChIInChI=1S/C18H22BrN3O3Si/c1-26(2,3)9-8-24-12-25-17-7-6-16(20-21-17)22-11-13-10-14(19)4-5-15(13)18(22)23/h4-7,10H,8-9,11-12H2,1-3H3
InChIKeyRNZDLUXEPCYDLC-UHFFFAOYSA-N
MW436.38 g/mol
LogP4.09
Rot. Bonds7

About 5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one

5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one (PubChem CID 165406438) has the molecular formula C18H22BrN3O3Si and a molecular weight of 436.38 g/mol. Its IUPAC name is 5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one
PubChem CID165406438
Molecular FormulaC18H22BrN3O3Si
Molecular Weight436.38 g/mol
Exact Mass435.06
IUPAC Name5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one
SMILESC[Si](C)(C)CCOCOc1ccc(N2Cc3cc(Br)ccc3C2=O)nn1
InChIInChI=1S/C18H22BrN3O3Si/c1-26(2,3)9-8-24-12-25-17-7-6-16(20-21-17)22-11-13-10-14(19)4-5-15(13)18(22)23/h4-7,10H,8-9,11-12H2,1-3H3
InChIKeyRNZDLUXEPCYDLC-UHFFFAOYSA-N
XLogP4.09
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one
CID 165406423
2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-isoindol-1-one
CID 165406379
dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate
CID 174189987
5-bromo-2-(4-methylphenyl)-3H-isoindol-1-one
CID 144618984
5-bromo-2-(2-methoxyethyl)-3H-isoindol-1-one
CID 59276302
7-(5-bromo-2-pyridinyl)-3,8-dihydro-2H-[1,4]dioxino[2,3-f]isoindol-6-one
CID 42598209
5-bromo-1-methyl-3-(2-trimethylsilylethoxymethoxy)pyridin-2-one
CID 86675486
3-(6-bromo-3-oxo-1H-isoindol-2-yl)benzonitrile
CID 71427515
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-[4-(2-trimethylsilylethoxymethoxy)-2-pyridinyl]-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168787061
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-5-[2-(2-trimethylsilylethoxymethoxy)-4-pyridinyl]-6H-pyrrolo[3,4-c]pyrazol-4-one
CID 168786979
2-(2-amino-3-methoxy-4,5-dimethylphenyl)-5-bromo-3H-isoindol-1-one
CID 25267013
5-bromo-2-[1-(2,6-difluoro-4-methoxyphenyl)-2-(4-methoxyphenoxy)ethyl]-3H-isoindol-1-one
CID 156820757

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one?
The IUPAC name of 5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one (CID 165406438) is 5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one.
What is the SMILES notation for 5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one?
The canonical SMILES for 5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one is C[Si](C)(C)CCOCOc1ccc(N2Cc3cc(Br)ccc3C2=O)nn1.
What is the InChIKey of 5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one?
The InChIKey is RNZDLUXEPCYDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O3Si/c1-26(2,3)9-8-24-12-25-17-7-6-16(20-21-17)22-11-13-10-14(19)4-5-15(13)18(22)23/h4-7,10H,8-9,11-12H2,1-3H3.
What are the key properties of 5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one?
5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one has a molecular weight of 436.38 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[6-(2-trimethylsilylethoxymethoxy)pyridazin-3-yl]-3H-isoindol-1-one is sourced from PubChem (CID 165406438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).