6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide

C30H30F4N4O5SSi — CID 155711390

IUPAC6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
SMILESCNC(=O)c1nn(COCC[Si](C)(C)C)c2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(F)cc5c4CCC5=O)c3F)ccc12
InChIInChI=1S/C30H30F4N4O5SSi/c1-35-30(40)28-19-6-5-18(26(33)29(19)38(36-28)15-43-11-12-45(2,3)4)25-21(32)8-9-22(27(25)34)37-44(41,42)24-14-16(31)13-20-17(24)7-10-23(20)39/h5-6,8-9,13-14,37H,7,10-12,15H2,1-4H3,(H,35,40)
InChIKeyNMANEGVXNWJUNW-UHFFFAOYSA-N
MW662.74 g/mol
LogP5.86
Rot. Bonds10

About 6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide

6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide (PubChem CID 155711390) has the molecular formula C30H30F4N4O5SSi and a molecular weight of 662.74 g/mol. Its IUPAC name is 6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide.

Molecular Properties

Compound Name6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
PubChem CID155711390
Molecular FormulaC30H30F4N4O5SSi
Molecular Weight662.74 g/mol
Exact Mass662.16
IUPAC Name6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide
SMILESCNC(=O)c1nn(COCC[Si](C)(C)C)c2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(F)cc5c4CCC5=O)c3F)ccc12
InChIInChI=1S/C30H30F4N4O5SSi/c1-35-30(40)28-19-6-5-18(26(33)29(19)38(36-28)15-43-11-12-45(2,3)4)25-21(32)8-9-22(27(25)34)37-44(41,42)24-14-16(31)13-20-17(24)7-10-23(20)39/h5-6,8-9,13-14,37H,7,10-12,15H2,1-4H3,(H,35,40)
InChIKeyNMANEGVXNWJUNW-UHFFFAOYSA-N
XLogP5.86
TPSA119.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.74
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
The IUPAC name of 6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide (CID 155711390) is 6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide.
What is the SMILES notation for 6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
The canonical SMILES for 6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide is CNC(=O)c1nn(COCC[Si](C)(C)C)c2c(F)c(-c3c(F)ccc(NS(=O)(=O)c4cc(F)cc5c4CCC5=O)c3F)ccc12.
What is the InChIKey of 6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
The InChIKey is NMANEGVXNWJUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F4N4O5SSi/c1-35-30(40)28-19-6-5-18(26(33)29(19)38(36-28)15-43-11-12-45(2,3)4)25-21(32)8-9-22(27(25)34)37-44(41,42)24-14-16(31)13-20-17(24)7-10-23(20)39/h5-6,8-9,13-14,37H,7,10-12,15H2,1-4H3,(H,35,40).
What are the key properties of 6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide?
6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide has a molecular weight of 662.74 g/mol, XLogP of 5.86, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-3-[(6-fluoro-1-oxo-2,3-dihydroinden-4-yl)sulfonylamino]phenyl]-7-fluoro-N-methyl-1-(2-trimethylsilylethoxymethyl)indazole-3-carboxamide is sourced from PubChem (CID 155711390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).