6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile

C27H37F3N6O5Si — CID 150545794

IUPAC6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(COc1cnn(COCC[Si](C)(C)C)c(=O)c1C(F)(F)F)OCCC(=O)N1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C27H37F3N6O5Si/c1-20(40-12-7-24(37)35-10-8-34(9-11-35)23-6-5-21(15-31)16-32-23)18-41-22-17-33-36(19-39-13-14-42(2,3)4)26(38)25(22)27(28,29)30/h5-6,16-17,20H,7-14,18-19H2,1-4H3
InChIKeyIGVMWYBHNLOFRK-UHFFFAOYSA-N
MW610.71 g/mol
LogP3.36
Rot. Bonds13

About 6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile

6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 150545794) has the molecular formula C27H37F3N6O5Si and a molecular weight of 610.71 g/mol. Its IUPAC name is 6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID150545794
Molecular FormulaC27H37F3N6O5Si
Molecular Weight610.71 g/mol
Exact Mass610.25
IUPAC Name6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCC(COc1cnn(COCC[Si](C)(C)C)c(=O)c1C(F)(F)F)OCCC(=O)N1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C27H37F3N6O5Si/c1-20(40-12-7-24(37)35-10-8-34(9-11-35)23-6-5-21(15-31)16-32-23)18-41-22-17-33-36(19-39-13-14-42(2,3)4)26(38)25(22)27(28,29)30/h5-6,16-17,20H,7-14,18-19H2,1-4H3
InChIKeyIGVMWYBHNLOFRK-UHFFFAOYSA-N
XLogP3.36
TPSA122.81 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500610.71
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

5-[2-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propoxy]propoxy]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 151558911
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
2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]ethyl 4-(5-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 153446866
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
5-[1-[3-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-oxopropoxy]propan-2-yloxy]-4-(trifluoromethyl)-2-(2-trimethylsilylethoxymethyl)pyridazin-3-one
CID 153446863
ethane;6-[4-[3-[2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]oxy]ethoxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 153358105
6-[4-[3-[(2R)-1-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-propylamino]propan-2-yl]oxypropanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 153358154
6-[4-[3-[(2R)-3-methoxy-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]oxy]propoxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 146218478
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
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
6-[4-[2-(2,2,2-trifluoroethoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 56817691
6-[2,2,3,3,5,5,6,6-octadeuterio-4-[3-[(2S)-2-[[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]oxy]propoxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 150341729

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 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) is 6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile is CC(COc1cnn(COCC[Si](C)(C)C)c(=O)c1C(F)(F)F)OCCC(=O)N1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is IGVMWYBHNLOFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37F3N6O5Si/c1-20(40-12-7-24(37)35-10-8-34(9-11-35)23-6-5-21(15-31)16-32-23)18-41-22-17-33-36(19-39-13-14-42(2,3)4)26(38)25(22)27(28,29)30/h5-6,16-17,20H,7-14,18-19H2,1-4H3.
What are the key properties of 6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 610.71 g/mol, XLogP of 3.36, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-[1-[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]oxypropan-2-yloxy]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 150545794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).