2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide

C21H26ClF3N6O4SSi — CID 155784173

IUPAC2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCn1cc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCC(C)(C)C(F)(F)F)n3)nc2Cl)c([Si](C)(C)C)n1
InChIInChI=1S/C21H26ClF3N6O4SSi/c1-20(2,21(23,24)25)12-35-16-9-10-31(27-16)15-8-7-13(17(22)26-15)18(32)29-36(33,34)14-11-30(3)28-19(14)37(4,5)6/h7-11H,12H2,1-6H3,(H,29,32)
InChIKeyALGOOKYYXCPIDL-UHFFFAOYSA-N
MW579.08 g/mol
LogP3.29
Rot. Bonds8

About 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide

2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 155784173) has the molecular formula C21H26ClF3N6O4SSi and a molecular weight of 579.08 g/mol. Its IUPAC name is 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID155784173
Molecular FormulaC21H26ClF3N6O4SSi
Molecular Weight579.08 g/mol
Exact Mass578.11
IUPAC Name2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide
SMILESCn1cc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCC(C)(C)C(F)(F)F)n3)nc2Cl)c([Si](C)(C)C)n1
InChIInChI=1S/C21H26ClF3N6O4SSi/c1-20(2,21(23,24)25)12-35-16-9-10-31(27-16)15-8-7-13(17(22)26-15)18(32)29-36(33,34)14-11-30(3)28-19(14)37(4,5)6/h7-11H,12H2,1-6H3,(H,29,32)
InChIKeyALGOOKYYXCPIDL-UHFFFAOYSA-N
XLogP3.29
TPSA121.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.08
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide (CID 155784173) is 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide is Cn1cc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCC(C)(C)C(F)(F)F)n3)nc2Cl)c([Si](C)(C)C)n1.
What is the InChIKey of 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is ALGOOKYYXCPIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClF3N6O4SSi/c1-20(2,21(23,24)25)12-35-16-9-10-31(27-16)15-8-7-13(17(22)26-15)18(32)29-36(33,34)14-11-30(3)28-19(14)37(4,5)6/h7-11H,12H2,1-6H3,(H,29,32).
What are the key properties of 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide?
2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 579.08 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-(3,3,3-trifluoro-2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155784173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).