2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide

C24H24F5N5O4S — CID 123477721

IUPAC2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide
SMILESCOc1nn(-c2ccc(C(F)(F)F)nc2)cc1CNC(=O)CC1(C)CC(F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24F5N5O4S/c1-23(9-17(26)14-34(23)39(36,37)19-6-3-16(25)4-7-19)10-21(35)31-11-15-13-33(32-22(15)38-2)18-5-8-20(30-12-18)24(27,28)29/h3-8,12-13,17H,9-11,14H2,1-2H3,(H,31,35)
InChIKeyMRMVVMGNICHKSY-UHFFFAOYSA-N
MW573.54 g/mol
LogP3.63
Rot. Bonds8

About 2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide

2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide (PubChem CID 123477721) has the molecular formula C24H24F5N5O4S and a molecular weight of 573.54 g/mol. Its IUPAC name is 2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide
PubChem CID123477721
Molecular FormulaC24H24F5N5O4S
Molecular Weight573.54 g/mol
Exact Mass573.15
IUPAC Name2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide
SMILESCOc1nn(-c2ccc(C(F)(F)F)nc2)cc1CNC(=O)CC1(C)CC(F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24F5N5O4S/c1-23(9-17(26)14-34(23)39(36,37)19-6-3-16(25)4-7-19)10-21(35)31-11-15-13-33(32-22(15)38-2)18-5-8-20(30-12-18)24(27,28)29/h3-8,12-13,17H,9-11,14H2,1-2H3,(H,31,35)
InChIKeyMRMVVMGNICHKSY-UHFFFAOYSA-N
XLogP3.63
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide with MolForge

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Related Compounds

US11236046, Example 151
CID 118019587
US11236046, Example 110
CID 118019666
US11236046, Example 153
CID 118019709
(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[5-(trifluoromethyl)pyrazin-2-yl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 118019743
US11236046, Example 134
CID 118019748
(2R,3S)-3-fluoro-1-(4-fluorophenylsulfonyl)-N-((3-methoxy-1-(6-(trifluoromethyl)pyridin-3-yl)-1H-pyrazol-4-yl)methyl)pyrrolidine-2-carboxamide
CID 118019758
US11236046, Example 135
CID 118019763
US11236046, Example 125
CID 118019796
US10766878, Example 34
CID 134203422
US10766878, Example 39
CID 134203425
US10766878, Example 40
CID 134203426
US10766878, Example 13
CID 134203552

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide?
The IUPAC name of 2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide (CID 123477721) is 2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide is COc1nn(-c2ccc(C(F)(F)F)nc2)cc1CNC(=O)CC1(C)CC(F)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide?
The InChIKey is MRMVVMGNICHKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5N5O4S/c1-23(9-17(26)14-34(23)39(36,37)19-6-3-16(25)4-7-19)10-21(35)31-11-15-13-33(32-22(15)38-2)18-5-8-20(30-12-18)24(27,28)29/h3-8,12-13,17H,9-11,14H2,1-2H3,(H,31,35).
What are the key properties of 2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide?
2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide has a molecular weight of 573.54 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 123477721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).