2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane

C24H30Cl2N6O2Si — CID 170550471

IUPAC2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc(-n2cc(-c3cnn(C4CCCCO4)c3)c3ccc(Cl)c(Cl)c32)n1
InChIInChI=1S/C24H30Cl2N6O2Si/c1-35(2,3)11-10-33-16-32-28-13-21(29-32)30-15-19(18-7-8-20(25)23(26)24(18)30)17-12-27-31(14-17)22-6-4-5-9-34-22/h7-8,12-15,22H,4-6,9-11,16H2,1-3H3
InChIKeyCVRXIWREEVFMSJ-UHFFFAOYSA-N
MW533.54 g/mol
LogP6.40
Rot. Bonds8

About 2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane

2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane (PubChem CID 170550471) has the molecular formula C24H30Cl2N6O2Si and a molecular weight of 533.54 g/mol. Its IUPAC name is 2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane
PubChem CID170550471
Molecular FormulaC24H30Cl2N6O2Si
Molecular Weight533.54 g/mol
Exact Mass532.16
IUPAC Name2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc(-n2cc(-c3cnn(C4CCCCO4)c3)c3ccc(Cl)c(Cl)c32)n1
InChIInChI=1S/C24H30Cl2N6O2Si/c1-35(2,3)11-10-33-16-32-28-13-21(29-32)30-15-19(18-7-8-20(25)23(26)24(18)30)17-12-27-31(14-17)22-6-4-5-9-34-22/h7-8,12-15,22H,4-6,9-11,16H2,1-3H3
InChIKeyCVRXIWREEVFMSJ-UHFFFAOYSA-N
XLogP6.40
TPSA71.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.54
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane 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 2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane (CID 170550471) is 2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc(-n2cc(-c3cnn(C4CCCCO4)c3)c3ccc(Cl)c(Cl)c32)n1.
What is the InChIKey of 2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is CVRXIWREEVFMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N6O2Si/c1-35(2,3)11-10-33-16-32-28-13-21(29-32)30-15-19(18-7-8-20(25)23(26)24(18)30)17-12-27-31(14-17)22-6-4-5-9-34-22/h7-8,12-15,22H,4-6,9-11,16H2,1-3H3.
What are the key properties of 2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 533.54 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-2-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 170550471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).