2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid

C23H27N5O4Si — CID 150095031

IUPAC2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid
SMILESC[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nn(CC(=O)O)cc3c2)nc1
InChIInChI=1S/C23H27N5O4Si/c1-33(2,3)11-10-31-16-28-21(8-9-25-28)17-4-7-22(24-13-17)32-19-5-6-20-18(12-19)14-27(26-20)15-23(29)30/h4-9,12-14H,10-11,15-16H2,1-3H3,(H,29,30)
InChIKeyDUAKQMMMVVBPIR-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.48
Rot. Bonds10

About 2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid

2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid (PubChem CID 150095031) has the molecular formula C23H27N5O4Si and a molecular weight of 465.59 g/mol. Its IUPAC name is 2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid
PubChem CID150095031
Molecular FormulaC23H27N5O4Si
Molecular Weight465.59 g/mol
Exact Mass465.18
IUPAC Name2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid
SMILESC[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nn(CC(=O)O)cc3c2)nc1
InChIInChI=1S/C23H27N5O4Si/c1-33(2,3)11-10-31-16-28-21(8-9-25-28)17-4-7-22(24-13-17)32-19-5-6-20-18(12-19)14-27(26-20)15-23(29)30/h4-9,12-14H,10-11,15-16H2,1-3H3,(H,29,30)
InChIKeyDUAKQMMMVVBPIR-UHFFFAOYSA-N
XLogP4.48
TPSA104.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.48
H-Bond Donors ≤ 51
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-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid with MolForge

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Related Compounds

6-[[5-[2-(propoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde
CID 144777697
3-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methylamino]propanenitrile
CID 123594014
methane;1-piperazin-1-ylethanone;1-[4-[[6-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperazin-1-yl]ethanone;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalene-2-carbaldehyde;1-[4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]naphthalen-2-yl]methyl]piperazin-1-yl]ethanone
CID 161371729
trimethyl-[2-[(5-pyrazin-2-ylindazol-2-yl)methoxy]ethyl]silane
CID 90398670
azane;2-[[5-[6-[2-(3,8-diazabicyclo[3.2.1]octan-8-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl-methyl-methylidene-λ4-sulfane;molecular hydrogen
CID 144777706
2-[5-[[5-[C-(2-iminoethyl)-N-(2-trimethylsilylethoxymethyl)carbonimidoyl]-2-pyridinyl]oxy]indazol-2-yl]ethanol
CID 123321121
deuterium monohydride;9H-fluoren-9-ylmethyl piperazine-1-carboxylate;9H-fluoren-9-ylmethyl 4-[[6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane;trimethyl-[2-[[5-[6-[2-(piperazin-1-ylmethyl)quinolin-6-yl]oxy-3-pyridinyl]pyrazol-1-yl]methoxy]ethyl]silane;6-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]quinoline-2-carbaldehyde
CID 158609056
2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 90211025
2-[[5-(2-chloropyrimidin-5-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-hydroxynaphthalene-2-carbaldehyde;molecular hydrogen;6-[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]pyrimidin-2-yl]oxynaphthalene-2-carbaldehyde
CID 158525878
trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
CID 11637903
1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-1-[2-(2-trimethylsilylethoxymethyl)indazol-5-yl]ethanol
CID 87523960
2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-2-yl]acetic acid
CID 153087783

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid (CID 150095031) is 2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid is C[Si](C)(C)CCOCn1nccc1-c1ccc(Oc2ccc3nn(CC(=O)O)cc3c2)nc1.
What is the InChIKey of 2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid?
The InChIKey is DUAKQMMMVVBPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4Si/c1-33(2,3)11-10-31-16-28-21(8-9-25-28)17-4-7-22(24-13-17)32-19-5-6-20-18(12-19)14-27(26-20)15-23(29)30/h4-9,12-14H,10-11,15-16H2,1-3H3,(H,29,30).
What are the key properties of 2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid?
2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid has a molecular weight of 465.59 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[5-[2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-2-pyridinyl]oxy]indazol-2-yl]acetic acid is sourced from PubChem (CID 150095031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).