N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide

C28H36N6O4Si — CID 155764873

IUPACN-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(Cc2ccccc2)C(O)C(N)=O)c(-c2cccc3cnn(COCC[Si](C)(C)C)c23)n1
InChIInChI=1S/C28H36N6O4Si/c1-33-17-22(28(37)31-23(26(35)27(29)36)15-19-9-6-5-7-10-19)24(32-33)21-12-8-11-20-16-30-34(25(20)21)18-38-13-14-39(2,3)4/h5-12,16-17,23,26,35H,13-15,18H2,1-4H3,(H2,29,36)(H,31,37)
InChIKeyPCQNNNVWLKMFNL-UHFFFAOYSA-N
MW548.72 g/mol
LogP2.94
Rot. Bonds12

About N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide

N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide (PubChem CID 155764873) has the molecular formula C28H36N6O4Si and a molecular weight of 548.72 g/mol. Its IUPAC name is N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide
PubChem CID155764873
Molecular FormulaC28H36N6O4Si
Molecular Weight548.72 g/mol
Exact Mass548.26
IUPAC NameN-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC(Cc2ccccc2)C(O)C(N)=O)c(-c2cccc3cnn(COCC[Si](C)(C)C)c23)n1
InChIInChI=1S/C28H36N6O4Si/c1-33-17-22(28(37)31-23(26(35)27(29)36)15-19-9-6-5-7-10-19)24(32-33)21-12-8-11-20-16-30-34(25(20)21)18-38-13-14-39(2,3)4/h5-12,16-17,23,26,35H,13-15,18H2,1-4H3,(H2,29,36)(H,31,37)
InChIKeyPCQNNNVWLKMFNL-UHFFFAOYSA-N
XLogP2.94
TPSA137.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.72
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-bromo-1-methylpyrazole-4-carboxamide
CID 153484051
3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]benzoic acid
CID 166022038
methyl 1-(2-trimethylsilylethoxymethyl)indazole-7-carboxylate
CID 167405141
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide
CID 134397359
N-[(3S)-1-amino-2-hydroxy-1-oxohex-5-en-3-yl]-1-methyl-3-phenylpyrazole-4-carboxamide
CID 134397420
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-naphthalen-2-ylpyrazole-4-carboxamide
CID 134397583
trimethyl-[2-[(7-nitroindazol-1-yl)methoxy]ethyl]silane
CID 171502060
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-3-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide;deuteriomethylphosphane;ethyl 3-(4-fluorophenyl)-1-methylpyrazole-4-carboxylate;ethyl 3-iodo-1-methylpyrazole-4-carboxylate;methane
CID 167575695
1-methyl-N-[(2S)-3-oxo-1-phenylbutan-2-yl]-3-phenylpyrazole-4-carboxamide
CID 159069154
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorothiophen-3-yl)-1-methylpyrazole-4-carboxamide
CID 134397631
N-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyridine-3-carboxamide
CID 171501872
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-methyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 134396739

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide?
The IUPAC name of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide (CID 155764873) is N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide?
The canonical SMILES for N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide is Cn1cc(C(=O)NC(Cc2ccccc2)C(O)C(N)=O)c(-c2cccc3cnn(COCC[Si](C)(C)C)c23)n1.
What is the InChIKey of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide?
The InChIKey is PCQNNNVWLKMFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O4Si/c1-33-17-22(28(37)31-23(26(35)27(29)36)15-19-9-6-5-7-10-19)24(32-33)21-12-8-11-20-16-30-34(25(20)21)18-38-13-14-39(2,3)4/h5-12,16-17,23,26,35H,13-15,18H2,1-4H3,(H2,29,36)(H,31,37).
What are the key properties of N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide?
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide has a molecular weight of 548.72 g/mol, XLogP of 2.94, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 155764873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).