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'}

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Related Compounds

1-(benzenesulfonyl)-6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indole
CID 170427028
tert-butyl N-[[6,7-dichloro-1-methyl-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-2-yl]methyl]carbamate
CID 170610037
[6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-[1-(trimethylsilylmethyl)triazol-4-yl]indol-2-yl]methanol
CID 170550425
4-(2,4-dichlorophenyl)-1-(oxan-2-yl)pyrazole
CID 122561537
ethyl 6,7-dichloro-1-(5-ethoxy-5-oxopentyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]indole-2-carboxylate
CID 170427081
ethyl 6,7-dichloro-3-[1-[(2R)-oxan-2-yl]pyrazol-4-yl]-1H-indole-2-carboxylate
CID 170426796
1-[6-bromo-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone;1-[6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-2-(1H-pyrazol-4-yl)ethanone
CID 158986126
6-bromo-7-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole;ethane
CID 170610110
6,7-dichloro-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indole-2-carboxylic acid
CID 170427452
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-7,8-dichloro-11-[1-(oxan-2-yl)pyrazol-4-yl]-2,5-dihydro-1H-[1,4]diazepino[1,7-a]indol-4-one
CID 170550516
tert-butyl-[2-[4-[6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]-3-methyl-2H-triazol-1-yl]ethoxy]-dimethylsilane
CID 170610080
N-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]-6-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
CID 131741405

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).