(3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone

C28H33N3O2Si — CID 20778076

IUPAC(3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone
SMILESC[Si](C)(C)CCOCn1nc(CCc2ccccc2)c2ccc(C(=O)c3cccc(N)c3)cc21
InChIInChI=1S/C28H33N3O2Si/c1-34(2,3)17-16-33-20-31-27-19-23(28(32)22-10-7-11-24(29)18-22)13-14-25(27)26(30-31)15-12-21-8-5-4-6-9-21/h4-11,13-14,18-19H,12,15-17,20,29H2,1-3H3
InChIKeyOYKYBODKOIUJHP-UHFFFAOYSA-N
MW471.68 g/mol
LogP5.95
Rot. Bonds10

About (3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone

(3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone (PubChem CID 20778076) has the molecular formula C28H33N3O2Si and a molecular weight of 471.68 g/mol. Its IUPAC name is (3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone.

Molecular Properties

Compound Name(3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone
PubChem CID20778076
Molecular FormulaC28H33N3O2Si
Molecular Weight471.68 g/mol
Exact Mass471.23
IUPAC Name(3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone
SMILESC[Si](C)(C)CCOCn1nc(CCc2ccccc2)c2ccc(C(=O)c3cccc(N)c3)cc21
InChIInChI=1S/C28H33N3O2Si/c1-34(2,3)17-16-33-20-31-27-19-23(28(32)22-10-7-11-24(29)18-22)13-14-25(27)26(30-31)15-12-21-8-5-4-6-9-21/h4-11,13-14,18-19H,12,15-17,20,29H2,1-3H3
InChIKeyOYKYBODKOIUJHP-UHFFFAOYSA-N
XLogP5.95
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.68
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 46907250
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CID 24979610
4-(1-benzylindazol-3-yl)-N-propylbenzamide
CID 44451727
4-(1-benzylindazol-3-yl)-N-ethylbenzamide
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JNK Inhibitor II, Negative Control
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4-(1-benzylindazol-3-yl)-N-propan-2-ylbenzamide
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4-(1-benzylindazol-3-yl)-N-methylbenzamide
CID 44451753

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone?
The IUPAC name of (3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone (CID 20778076) is (3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone.
What is the SMILES notation for (3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone?
The canonical SMILES for (3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone is C[Si](C)(C)CCOCn1nc(CCc2ccccc2)c2ccc(C(=O)c3cccc(N)c3)cc21.
What is the InChIKey of (3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone?
The InChIKey is OYKYBODKOIUJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2Si/c1-34(2,3)17-16-33-20-31-27-19-23(28(32)22-10-7-11-24(29)18-22)13-14-25(27)26(30-31)15-12-21-8-5-4-6-9-21/h4-11,13-14,18-19H,12,15-17,20,29H2,1-3H3.
What are the key properties of (3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone?
(3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone has a molecular weight of 471.68 g/mol, XLogP of 5.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-[3-(2-phenylethyl)-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methanone is sourced from PubChem (CID 20778076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).