6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide

C21H32ClN5O3SSi — CID 155784187

IUPAC6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide
SMILESCc1nn(C)cc1S(=O)(=O)NC(=O)c1cc([Si](C)(C)C)c(Cl)nc1N1C[C@@H](C)CC1(C)C
InChIInChI=1S/C21H32ClN5O3SSi/c1-13-10-21(3,4)27(11-13)19-15(9-17(18(22)23-19)32(6,7)8)20(28)25-31(29,30)16-12-26(5)24-14(16)2/h9,12-13H,10-11H2,1-8H3,(H,25,28)/t13-/m0/s1
InChIKeyBPHYFCWVPMGNDU-ZDUSSCGKSA-N
MW498.13 g/mol
LogP3.07
Rot. Bonds5

About 6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide

6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide (PubChem CID 155784187) has the molecular formula C21H32ClN5O3SSi and a molecular weight of 498.13 g/mol. Its IUPAC name is 6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide
PubChem CID155784187
Molecular FormulaC21H32ClN5O3SSi
Molecular Weight498.13 g/mol
Exact Mass497.17
IUPAC Name6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide
SMILESCc1nn(C)cc1S(=O)(=O)NC(=O)c1cc([Si](C)(C)C)c(Cl)nc1N1C[C@@H](C)CC1(C)C
InChIInChI=1S/C21H32ClN5O3SSi/c1-13-10-21(3,4)27(11-13)19-15(9-17(18(22)23-19)32(6,7)8)20(28)25-31(29,30)16-12-26(5)24-14(16)2/h9,12-13H,10-11H2,1-8H3,(H,25,28)/t13-/m0/s1
InChIKeyBPHYFCWVPMGNDU-ZDUSSCGKSA-N
XLogP3.07
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.13
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide (CID 155784187) is 6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide is Cc1nn(C)cc1S(=O)(=O)NC(=O)c1cc([Si](C)(C)C)c(Cl)nc1N1C[C@@H](C)CC1(C)C.
What is the InChIKey of 6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide?
The InChIKey is BPHYFCWVPMGNDU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H32ClN5O3SSi/c1-13-10-21(3,4)27(11-13)19-15(9-17(18(22)23-19)32(6,7)8)20(28)25-31(29,30)16-12-26(5)24-14(16)2/h9,12-13H,10-11H2,1-8H3,(H,25,28)/t13-/m0/s1.
What are the key properties of 6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide?
6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide has a molecular weight of 498.13 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide is sourced from PubChem (CID 155784187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).