N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide

C20H32N4O2Si — CID 172871875

IUPACN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1nn(CCC[Si](C)(C)C)c2ccccc12)C(N)=O
InChIInChI=1S/C20H32N4O2Si/c1-20(2,3)17(18(21)25)22-19(26)16-14-10-7-8-11-15(14)24(23-16)12-9-13-27(4,5)6/h7-8,10-11,17H,9,12-13H2,1-6H3,(H2,21,25)(H,22,26)/t17-/m1/s1
InChIKeyLJKMOYFTWIBFJI-QGZVFWFLSA-N
MW388.59 g/mol
LogP3.39
Rot. Bonds7

About N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide

N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide (PubChem CID 172871875) has the molecular formula C20H32N4O2Si and a molecular weight of 388.59 g/mol. Its IUPAC name is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide
PubChem CID172871875
Molecular FormulaC20H32N4O2Si
Molecular Weight388.59 g/mol
Exact Mass388.23
IUPAC NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1nn(CCC[Si](C)(C)C)c2ccccc12)C(N)=O
InChIInChI=1S/C20H32N4O2Si/c1-20(2,3)17(18(21)25)22-19(26)16-14-10-7-8-11-15(14)24(23-16)12-9-13-27(4,5)6/h7-8,10-11,17H,9,12-13H2,1-6H3,(H2,21,25)(H,22,26)/t17-/m1/s1
InChIKeyLJKMOYFTWIBFJI-QGZVFWFLSA-N
XLogP3.39
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.59
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide (CID 172871875) is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide is CC(C)(C)[C@H](NC(=O)c1nn(CCC[Si](C)(C)C)c2ccccc12)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide?
The InChIKey is LJKMOYFTWIBFJI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H32N4O2Si/c1-20(2,3)17(18(21)25)22-19(26)16-14-10-7-8-11-15(14)24(23-16)12-9-13-27(4,5)6/h7-8,10-11,17H,9,12-13H2,1-6H3,(H2,21,25)(H,22,26)/t17-/m1/s1.
What are the key properties of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide?
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide has a molecular weight of 388.59 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-(3-trimethylsilylpropyl)indazole-3-carboxamide is sourced from PubChem (CID 172871875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).