dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate

C26H30K2N4O8Si — CID 174189987

IUPACdipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate
SMILESCOc1ccc(COc2ccc3c(c2)CN(c2ccc(=O)n(COCC[Si](C)(C)C)n2)C3=O)nc1.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C25H30N4O5Si.CH2O3.2K/c1-32-21-6-5-19(26-14-21)16-34-20-7-8-22-18(13-20)15-28(25(22)31)23-9-10-24(30)29(27-23)17-33-11-12-35(2,3)4;2-1(3)4;;/h5-10,13-14H,11-12,15-17H2,1-4H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyABWMYYKMAWQXCE-UHFFFAOYSA-L
MW632.83 g/mol
LogP-4.74
Rot. Bonds10

About dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate

dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate (PubChem CID 174189987) has the molecular formula C26H30K2N4O8Si and a molecular weight of 632.83 g/mol. Its IUPAC name is dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate.

Molecular Properties

Compound Namedipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate
PubChem CID174189987
Molecular FormulaC26H30K2N4O8Si
Molecular Weight632.83 g/mol
Exact Mass632.11
IUPAC Namedipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate
SMILESCOc1ccc(COc2ccc3c(c2)CN(c2ccc(=O)n(COCC[Si](C)(C)C)n2)C3=O)nc1.O=C([O-])[O-].[K+].[K+]
InChIInChI=1S/C25H30N4O5Si.CH2O3.2K/c1-32-21-6-5-19(26-14-21)16-34-20-7-8-22-18(13-20)15-28(25(22)31)23-9-10-24(30)29(27-23)17-33-11-12-35(2,3)4;2-1(3)4;;/h5-10,13-14H,11-12,15-17H2,1-4H3;(H2,2,3,4);;/q;;2*+1/p-2
InChIKeyABWMYYKMAWQXCE-UHFFFAOYSA-L
XLogP-4.74
TPSA158.97 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.83
LogP ≤ 5-4.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate?
The IUPAC name of dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate (CID 174189987) is dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate.
What is the SMILES notation for dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate?
The canonical SMILES for dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate is COc1ccc(COc2ccc3c(c2)CN(c2ccc(=O)n(COCC[Si](C)(C)C)n2)C3=O)nc1.O=C([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate?
The InChIKey is ABWMYYKMAWQXCE-UHFFFAOYSA-L. The full InChI is InChI=1S/C25H30N4O5Si.CH2O3.2K/c1-32-21-6-5-19(26-14-21)16-34-20-7-8-22-18(13-20)15-28(25(22)31)23-9-10-24(30)29(27-23)17-33-11-12-35(2,3)4;2-1(3)4;;/h5-10,13-14H,11-12,15-17H2,1-4H3;(H2,2,3,4);;/q;;2*+1/p-2.
What are the key properties of dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate?
dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate has a molecular weight of 632.83 g/mol, XLogP of -4.74, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate is sourced from PubChem (CID 174189987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).