4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile

C27H37ClN6O5Si — CID 175827606

IUPAC4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESC[Si](C)(C)CCOCn1ncc(OCC2CCC(CC(=O)C3CNCCN3c3ccncc3C#N)O2)c(Cl)c1=O
InChIInChI=1S/C27H37ClN6O5Si/c1-40(2,3)11-10-37-18-34-27(36)26(28)25(16-32-34)38-17-21-5-4-20(39-21)12-24(35)23-15-31-8-9-33(23)22-6-7-30-14-19(22)13-29/h6-7,14,16,20-21,23,31H,4-5,8-12,15,17-18H2,1-3H3
InChIKeyDLFWOZHNRYNAMY-UHFFFAOYSA-N
MW589.17 g/mol
LogP2.84
Rot. Bonds12

About 4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile

4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 175827606) has the molecular formula C27H37ClN6O5Si and a molecular weight of 589.17 g/mol. Its IUPAC name is 4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID175827606
Molecular FormulaC27H37ClN6O5Si
Molecular Weight589.17 g/mol
Exact Mass588.23
IUPAC Name4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESC[Si](C)(C)CCOCn1ncc(OCC2CCC(CC(=O)C3CNCCN3c3ccncc3C#N)O2)c(Cl)c1=O
InChIInChI=1S/C27H37ClN6O5Si/c1-40(2,3)11-10-37-18-34-27(36)26(28)25(16-32-34)38-17-21-5-4-20(39-21)12-24(35)23-15-31-8-9-33(23)22-6-7-30-14-19(22)13-29/h6-7,14,16,20-21,23,31H,4-5,8-12,15,17-18H2,1-3H3
InChIKeyDLFWOZHNRYNAMY-UHFFFAOYSA-N
XLogP2.84
TPSA131.60 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.17
LogP ≤ 52.84
H-Bond Donors ≤ 51
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 4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-[2-[2-[4-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]morpholin-3-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 175827597
3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile
CID 172806040
1-(1-butyl-5-chloro-6-oxopyridazin-4-yl)piperazine-2-carboxylic acid
CID 114445817
4-bromo-5-(2-hydroxyethoxy)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 152639581
6-[4-[2-[(2S,5S)-5-[(5-chloro-6-oxo-1H-pyridazin-4-yl)oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 146218388
5-[[5-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]oxolan-2-yl]methylamino]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 151208733
3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-[[(2S)-1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]pyrrolidin-2-yl]methyl]propanamide
CID 153446860
6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 150545794
4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide
CID 83098897
trimethyl-[2-(pyrazolo[5,4-c]pyridin-1-ylmethoxy)ethyl]silane
CID 154005449
tert-butyl N-[2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-N-[3-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropyl]carbamate
CID 153446870
1-(2-trimethylsilylethoxymethyl)indazole-5-carboxylic acid
CID 156717889

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 175827606) is 4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile is C[Si](C)(C)CCOCn1ncc(OCC2CCC(CC(=O)C3CNCCN3c3ccncc3C#N)O2)c(Cl)c1=O.
What is the InChIKey of 4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is DLFWOZHNRYNAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClN6O5Si/c1-40(2,3)11-10-37-18-34-27(36)26(28)25(16-32-34)38-17-21-5-4-20(39-21)12-24(35)23-15-31-8-9-33(23)22-6-7-30-14-19(22)13-29/h6-7,14,16,20-21,23,31H,4-5,8-12,15,17-18H2,1-3H3.
What are the key properties of 4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile?
4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 589.17 g/mol, XLogP of 2.84, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[5-[[5-chloro-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxymethyl]oxolan-2-yl]acetyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 175827606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).