2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid

C28H29N3O4Si — CID 69371167

IUPAC2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid
SMILESC[Si](C)(C)CCOCn1nc(C=Cc2ccccn2)c2ccc(C(=O)c3ccccc3C(=O)O)cc21
InChIInChI=1S/C28H29N3O4Si/c1-36(2,3)17-16-35-19-31-26-18-20(27(32)22-9-4-5-10-23(22)28(33)34)11-13-24(26)25(30-31)14-12-21-8-6-7-15-29-21/h4-15,18H,16-17,19H2,1-3H3,(H,33,34)
InChIKeyFQAJTNWGZAPSQB-UHFFFAOYSA-N
MW499.64 g/mol
LogP5.84
Rot. Bonds10

About 2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid

2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid (PubChem CID 69371167) has the molecular formula C28H29N3O4Si and a molecular weight of 499.64 g/mol. Its IUPAC name is 2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid.

Molecular Properties

Compound Name2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid
PubChem CID69371167
Molecular FormulaC28H29N3O4Si
Molecular Weight499.64 g/mol
Exact Mass499.19
IUPAC Name2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid
SMILESC[Si](C)(C)CCOCn1nc(C=Cc2ccccn2)c2ccc(C(=O)c3ccccc3C(=O)O)cc21
InChIInChI=1S/C28H29N3O4Si/c1-36(2,3)17-16-35-19-31-26-18-20(27(32)22-9-4-5-10-23(22)28(33)34)11-13-24(26)25(30-31)14-12-21-8-6-7-15-29-21/h4-15,18H,16-17,19H2,1-3H3,(H,33,34)
InChIKeyFQAJTNWGZAPSQB-UHFFFAOYSA-N
XLogP5.84
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.64
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

ethyl 3-fluoro-2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]sulfanylbenzoate
CID 74013916
trimethyl-[2-[[6-(1-phenylethenyl)-3-(2-phenylethenyl)indazol-1-yl]methoxy]ethyl]silane
CID 69371688
3-[[3-(2-pyrazin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-2-one
CID 68756555
3-[2-[3-(4-methylpiperazine-1-carbonyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazole-6-carbaldehyde
CID 91326919
1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 22486277
1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 169159905
3-[2-(1,3-benzodioxol-5-yl)ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-amine
CID 69371667
N-[(3E)-2-oxo-3-[[3-[(E)-2-pyridin-4-ylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-1H-indol-7-yl]acetamide
CID 68754755
2-methyl-5-[1-(2-trimethylsilylethoxymethyl)-3-[(E)-2-[1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethenyl]indazol-6-yl]oxyaniline
CID 87800832
2-[[6-[3-methoxy-4-(methoxymethoxy)phenyl]-3-[2-(4-nitrophenyl)ethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 69370102
2-[1-formyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanyl-N-methylbenzamide
CID 169440748
2-[5-chloro-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-c]pyridin-3-yl]-N-methylbenzamide
CID 175820295

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid?
The IUPAC name of 2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid (CID 69371167) is 2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid.
What is the SMILES notation for 2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid?
The canonical SMILES for 2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid is C[Si](C)(C)CCOCn1nc(C=Cc2ccccn2)c2ccc(C(=O)c3ccccc3C(=O)O)cc21.
What is the InChIKey of 2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid?
The InChIKey is FQAJTNWGZAPSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4Si/c1-36(2,3)17-16-35-19-31-26-18-20(27(32)22-9-4-5-10-23(22)28(33)34)11-13-24(26)25(30-31)14-12-21-8-6-7-15-29-21/h4-15,18H,16-17,19H2,1-3H3,(H,33,34).
What are the key properties of 2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid?
2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid has a molecular weight of 499.64 g/mol, XLogP of 5.84, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-pyridin-2-ylethenyl)-1-(2-trimethylsilylethoxymethyl)indazole-6-carbonyl]benzoic acid is sourced from PubChem (CID 69371167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).