(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide

C22H20F5N5O4S — CID 118019758

IUPAC(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1nn(-c2ccc(C(F)(F)F)nc2)cc1CNC(=O)[C@@H]1[C@@H](F)CCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H20F5N5O4S/c1-36-21-13(12-31(30-21)15-4-7-18(28-11-15)22(25,26)27)10-29-20(33)19-17(24)8-9-32(19)37(34,35)16-5-2-14(23)3-6-16/h2-7,11-12,17,19H,8-10H2,1H3,(H,29,33)/t17-,19-/m0/s1
InChIKeyVKWXCYKBWXMGFK-HKUYNNGSSA-N
MW545.49 g/mol
LogP2.85
Rot. Bonds7

About (2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide

(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 118019758) has the molecular formula C22H20F5N5O4S and a molecular weight of 545.49 g/mol. Its IUPAC name is (2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID118019758
Molecular FormulaC22H20F5N5O4S
Molecular Weight545.49 g/mol
Exact Mass545.12
IUPAC Name(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCOc1nn(-c2ccc(C(F)(F)F)nc2)cc1CNC(=O)[C@@H]1[C@@H](F)CCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C22H20F5N5O4S/c1-36-21-13(12-31(30-21)15-4-7-18(28-11-15)22(25,26)27)10-29-20(33)19-17(24)8-9-32(19)37(34,35)16-5-2-14(23)3-6-16/h2-7,11-12,17,19H,8-10H2,1H3,(H,29,33)/t17-,19-/m0/s1
InChIKeyVKWXCYKBWXMGFK-HKUYNNGSSA-N
XLogP2.85
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-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 (2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide (CID 118019758) is (2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide is COc1nn(-c2ccc(C(F)(F)F)nc2)cc1CNC(=O)[C@@H]1[C@@H](F)CCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is VKWXCYKBWXMGFK-HKUYNNGSSA-N. The full InChI is InChI=1S/C22H20F5N5O4S/c1-36-21-13(12-31(30-21)15-4-7-18(28-11-15)22(25,26)27)10-29-20(33)19-17(24)8-9-32(19)37(34,35)16-5-2-14(23)3-6-16/h2-7,11-12,17,19H,8-10H2,1H3,(H,29,33)/t17-,19-/m0/s1.
What are the key properties of (2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide?
(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 545.49 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-methoxy-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazol-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118019758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).