2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide

C22H26ClF3N6O4SSi — CID 155784139

IUPAC2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCn1cc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCCC4(C(F)(F)F)CC4)n3)nc2Cl)c([Si](C)(C)C)n1
InChIInChI=1S/C22H26ClF3N6O4SSi/c1-31-13-15(20(29-31)38(2,3)4)37(34,35)30-19(33)14-5-6-16(27-18(14)23)32-11-7-17(28-32)36-12-10-21(8-9-21)22(24,25)26/h5-7,11,13H,8-10,12H2,1-4H3,(H,30,33)
InChIKeyPAGGNGWQFIHESL-UHFFFAOYSA-N
MW591.09 g/mol
LogP3.43
Rot. Bonds9

About 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide

2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 155784139) has the molecular formula C22H26ClF3N6O4SSi and a molecular weight of 591.09 g/mol. Its IUPAC name is 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
PubChem CID155784139
Molecular FormulaC22H26ClF3N6O4SSi
Molecular Weight591.09 g/mol
Exact Mass590.11
IUPAC Name2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
SMILESCn1cc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCCC4(C(F)(F)F)CC4)n3)nc2Cl)c([Si](C)(C)C)n1
InChIInChI=1S/C22H26ClF3N6O4SSi/c1-31-13-15(20(29-31)38(2,3)4)37(34,35)30-19(33)14-5-6-16(27-18(14)23)32-11-7-17(28-32)36-12-10-21(8-9-21)22(24,25)26/h5-7,11,13H,8-10,12H2,1-4H3,(H,30,33)
InChIKeyPAGGNGWQFIHESL-UHFFFAOYSA-N
XLogP3.43
TPSA121.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.09
LogP ≤ 53.43
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide (CID 155784139) is 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide is Cn1cc(S(=O)(=O)NC(=O)c2ccc(-n3ccc(OCCC4(C(F)(F)F)CC4)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-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is PAGGNGWQFIHESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF3N6O4SSi/c1-31-13-15(20(29-31)38(2,3)4)37(34,35)30-19(33)14-5-6-16(27-18(14)23)32-11-7-17(28-32)36-12-10-21(8-9-21)22(24,25)26/h5-7,11,13H,8-10,12H2,1-4H3,(H,30,33).
What are the key properties of 2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide?
2-chloro-N-(1-methyl-3-trimethylsilylpyrazol-4-yl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 591.09 g/mol, XLogP of 3.43, 9 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-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155784139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).