tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate

C18H29N3O3Si — CID 70982737

IUPACtert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(N)c2ccc(O[Si](C)(C)C(C)(C)C)cc21
InChIInChI=1S/C18H29N3O3Si/c1-17(2,3)23-16(22)21-14-11-12(9-10-13(14)15(19)20-21)24-25(7,8)18(4,5)6/h9-11H,1-8H3,(H2,19,20)
InChIKeyIZGVBGPQTOBTFJ-UHFFFAOYSA-N
MW363.53 g/mol
LogP4.79
Rot. Bonds2

About tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate

tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate (PubChem CID 70982737) has the molecular formula C18H29N3O3Si and a molecular weight of 363.53 g/mol. Its IUPAC name is tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate
PubChem CID70982737
Molecular FormulaC18H29N3O3Si
Molecular Weight363.53 g/mol
Exact Mass363.20
IUPAC Nametert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(N)c2ccc(O[Si](C)(C)C(C)(C)C)cc21
InChIInChI=1S/C18H29N3O3Si/c1-17(2,3)23-16(22)21-14-11-12(9-10-13(14)15(19)20-21)24-25(7,8)18(4,5)6/h9-11H,1-8H3,(H2,19,20)
InChIKeyIZGVBGPQTOBTFJ-UHFFFAOYSA-N
XLogP4.79
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-amino-6-methylindazole-1-carboxylate
CID 71659334
tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate
CID 16654571
tert-butyl 6-[tert-butyl(diphenyl)silyl]oxy-3-iodoindazole-1-carboxylate
CID 59373800
tert-butyl 3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-6-oxopyridazine-1-carboxylate
CID 59336045
tert-butyl 3-amino-6-(2-chloro-4-fluoroanilino)indazole-1-carboxylate
CID 166969178
tert-butyl 6-(4-fluorophenoxy)-3-methylindazole-1-carboxylate
CID 76852757
tert-butyl 3-amino-6-[(2-chloro-6-fluorophenyl)methyl]indazole-1-carboxylate
CID 163666539
tert-butyl 3-methoxy-6-methylindazole-1-carboxylate
CID 70660035
tert-butyl 6-amino-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate
CID 162715858
tert-butyl 3-(bromomethyl)-6-methoxyindazole-1-carboxylate;tert-butyl 3-formyl-6-methoxyindazole-1-carboxylate
CID 158397860
(2S)-2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid
CID 174159570
2-[3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-6-yl]-5'-methoxy-2'-oxospiro[cyclopropane-1,3'-indole]-1'-carboxylic acid
CID 174218287

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate (CID 70982737) is tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate is CC(C)(C)OC(=O)n1nc(N)c2ccc(O[Si](C)(C)C(C)(C)C)cc21.
What is the InChIKey of tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate?
The InChIKey is IZGVBGPQTOBTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3Si/c1-17(2,3)23-16(22)21-14-11-12(9-10-13(14)15(19)20-21)24-25(7,8)18(4,5)6/h9-11H,1-8H3,(H2,19,20).
What are the key properties of tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate?
tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate has a molecular weight of 363.53 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-6-[tert-butyl(dimethyl)silyl]oxyindazole-1-carboxylate is sourced from PubChem (CID 70982737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).