(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide

C24H20F6N4O3S — CID 122489189

IUPAC(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide
SMILESC[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3ccc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H20F6N4O3S/c1-13-18(26)9-21(34(13)38(36,37)17-5-3-16(25)4-6-17)23(35)33-11-15-8-20(31-12-19(15)27)14-2-7-22(32-10-14)24(28,29)30/h2-8,10,12-13,18,21H,9,11H2,1H3,(H,33,35)/t13-,18+,21-/m0/s1
InChIKeyPNDHIYYAPAPYCE-NVMYHKGLSA-N
MW558.50 g/mol
LogP4.25
Rot. Bonds6

About (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide

(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide (PubChem CID 122489189) has the molecular formula C24H20F6N4O3S and a molecular weight of 558.50 g/mol. Its IUPAC name is (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide
PubChem CID122489189
Molecular FormulaC24H20F6N4O3S
Molecular Weight558.50 g/mol
Exact Mass558.12
IUPAC Name(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide
SMILESC[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3ccc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H20F6N4O3S/c1-13-18(26)9-21(34(13)38(36,37)17-5-3-16(25)4-6-17)23(35)33-11-15-8-20(31-12-19(15)27)14-2-7-22(32-10-14)24(28,29)30/h2-8,10,12-13,18,21H,9,11H2,1H3,(H,33,35)/t13-,18+,21-/m0/s1
InChIKeyPNDHIYYAPAPYCE-NVMYHKGLSA-N
XLogP4.25
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-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 (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide (CID 122489189) is (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide is C[C@H]1[C@H](F)C[C@@H](C(=O)NCc2cc(-c3ccc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?
The InChIKey is PNDHIYYAPAPYCE-NVMYHKGLSA-N. The full InChI is InChI=1S/C24H20F6N4O3S/c1-13-18(26)9-21(34(13)38(36,37)17-5-3-16(25)4-6-17)23(35)33-11-15-8-20(31-12-19(15)27)14-2-7-22(32-10-14)24(28,29)30/h2-8,10,12-13,18,21H,9,11H2,1H3,(H,33,35)/t13-,18+,21-/m0/s1.
What are the key properties of (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?
(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide has a molecular weight of 558.50 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 122489189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).