(2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide

C17H15F5N4O — CID 118008292

IUPAC(2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(F)cc(-c2cnc(C(F)(F)F)cn2)c1)[C@H]1NCC[C@@H]1F
InChIInChI=1S/C17H15F5N4O/c18-11-4-9(6-26-16(27)15-12(19)1-2-23-15)3-10(5-11)13-7-25-14(8-24-13)17(20,21)22/h3-5,7-8,12,15,23H,1-2,6H2,(H,26,27)/t12-,15-/m0/s1
InChIKeyHKOKPFPHMHCRKZ-WFASDCNBSA-N
MW386.32 g/mol
LogP2.62
Rot. Bonds4

About (2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide

(2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 118008292) has the molecular formula C17H15F5N4O and a molecular weight of 386.32 g/mol. Its IUPAC name is (2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID118008292
Molecular FormulaC17H15F5N4O
Molecular Weight386.32 g/mol
Exact Mass386.12
IUPAC Name(2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cc(F)cc(-c2cnc(C(F)(F)F)cn2)c1)[C@H]1NCC[C@@H]1F
InChIInChI=1S/C17H15F5N4O/c18-11-4-9(6-26-16(27)15-12(19)1-2-23-15)3-10(5-11)13-7-25-14(8-24-13)17(20,21)22/h3-5,7-8,12,15,23H,1-2,6H2,(H,26,27)/t12-,15-/m0/s1
InChIKeyHKOKPFPHMHCRKZ-WFASDCNBSA-N
XLogP2.62
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]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-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide (CID 118008292) is (2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cc(F)cc(-c2cnc(C(F)(F)F)cn2)c1)[C@H]1NCC[C@@H]1F.
What is the InChIKey of (2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is HKOKPFPHMHCRKZ-WFASDCNBSA-N. The full InChI is InChI=1S/C17H15F5N4O/c18-11-4-9(6-26-16(27)15-12(19)1-2-23-15)3-10(5-11)13-7-25-14(8-24-13)17(20,21)22/h3-5,7-8,12,15,23H,1-2,6H2,(H,26,27)/t12-,15-/m0/s1.
What are the key properties of (2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide?
(2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 386.32 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-fluoro-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 118008292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).