N-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide

C23H33N7O5SSi — CID 174209196

IUPACN-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide
SMILESCOc1ccc2cnn(C)c2c1N(COCC[Si](C)(C)C)S(=O)(=O)c1ccc(C(N)=NNC(C)=O)nc1
InChIInChI=1S/C23H33N7O5SSi/c1-16(31)27-28-23(24)19-9-8-18(14-25-19)36(32,33)30(15-35-11-12-37(4,5)6)22-20(34-3)10-7-17-13-26-29(2)21(17)22/h7-10,13-14H,11-12,15H2,1-6H3,(H2,24,28)(H,27,31)
InChIKeyCFVOJQGXKRMBGU-UHFFFAOYSA-N
MW547.71 g/mol
LogP2.24
Rot. Bonds11

About N-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide

N-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide (PubChem CID 174209196) has the molecular formula C23H33N7O5SSi and a molecular weight of 547.71 g/mol. Its IUPAC name is N-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide
PubChem CID174209196
Molecular FormulaC23H33N7O5SSi
Molecular Weight547.71 g/mol
Exact Mass547.20
IUPAC NameN-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide
SMILESCOc1ccc2cnn(C)c2c1N(COCC[Si](C)(C)C)S(=O)(=O)c1ccc(C(N)=NNC(C)=O)nc1
InChIInChI=1S/C23H33N7O5SSi/c1-16(31)27-28-23(24)19-9-8-18(14-25-19)36(32,33)30(15-35-11-12-37(4,5)6)22-20(34-3)10-7-17-13-26-29(2)21(17)22/h7-10,13-14H,11-12,15H2,1-6H3,(H2,24,28)(H,27,31)
InChIKeyCFVOJQGXKRMBGU-UHFFFAOYSA-N
XLogP2.24
TPSA154.03 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.71
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide
CID 170969467
6-(hydrazinecarbonyl)-N-(6-methoxy-1-methylindazol-7-yl)pyridine-3-sulfonamide;sulfane
CID 170964840
5-amino-N-[2-(4-methoxyphenoxy)ethyl]-1-methylpyrazole-4-carboxamide
CID 82545915
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126033421
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 21212195
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478338
2-(4-bromo-2-methoxyphenoxy)-N-[2-hydroxy-2-[3-[methylsulfonyl(2-trimethylsilylethoxymethyl)amino]-4-(2-trimethylsilylethoxymethoxy)phenyl]ethyl]acetamide
CID 23134095
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 2289360
3,4-dimethoxy-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 35521053
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126124265
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 126122657
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide
CID 171980836

Frequently Asked Questions

What is the IUPAC name of N-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide?
The IUPAC name of N-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide (CID 174209196) is N-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide.
What is the SMILES notation for N-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide?
The canonical SMILES for N-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide is COc1ccc2cnn(C)c2c1N(COCC[Si](C)(C)C)S(=O)(=O)c1ccc(C(N)=NNC(C)=O)nc1.
What is the InChIKey of N-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide?
The InChIKey is CFVOJQGXKRMBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O5SSi/c1-16(31)27-28-23(24)19-9-8-18(14-25-19)36(32,33)30(15-35-11-12-37(4,5)6)22-20(34-3)10-7-17-13-26-29(2)21(17)22/h7-10,13-14H,11-12,15H2,1-6H3,(H2,24,28)(H,27,31).
What are the key properties of N-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide?
N-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide has a molecular weight of 547.71 g/mol, XLogP of 2.24, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide is sourced from PubChem (CID 174209196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).