(2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide

C22H18F6N6O3S — CID 134249011

IUPAC(2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide
SMILESC[C@@H]1[C@H](F)C[C@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)cn1
InChIInChI=1S/C22H18F6N6O3S/c1-11-15(24)5-18(34(11)38(36,37)19-3-2-14(23)9-30-19)20(35)31-6-12-4-17(29-10-16(12)25)13-7-32-21(33-8-13)22(26,27)28/h2-4,7-11,15,18H,5-6H2,1H3,(H,31,35)/t11-,15-,18-/m1/s1
InChIKeyQIEGGFMIMNRDIJ-PZDGAKPMSA-N
MW560.48 g/mol
LogP3.04
Rot. Bonds6

About (2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide

(2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide (PubChem CID 134249011) has the molecular formula C22H18F6N6O3S and a molecular weight of 560.48 g/mol. Its IUPAC name is (2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide
PubChem CID134249011
Molecular FormulaC22H18F6N6O3S
Molecular Weight560.48 g/mol
Exact Mass560.11
IUPAC Name(2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide
SMILESC[C@@H]1[C@H](F)C[C@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)cn1
InChIInChI=1S/C22H18F6N6O3S/c1-11-15(24)5-18(34(11)38(36,37)19-3-2-14(23)9-30-19)20(35)31-6-12-4-17(29-10-16(12)25)13-7-32-21(33-8-13)22(26,27)28/h2-4,7-11,15,18H,5-6H2,1H3,(H,31,35)/t11-,15-,18-/m1/s1
InChIKeyQIEGGFMIMNRDIJ-PZDGAKPMSA-N
XLogP3.04
TPSA118.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-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 (2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide (CID 134249011) is (2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide is C[C@@H]1[C@H](F)C[C@H](C(=O)NCc2cc(-c3cnc(C(F)(F)F)nc3)ncc2F)N1S(=O)(=O)c1ccc(F)cn1.
What is the InChIKey of (2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?
The InChIKey is QIEGGFMIMNRDIJ-PZDGAKPMSA-N. The full InChI is InChI=1S/C22H18F6N6O3S/c1-11-15(24)5-18(34(11)38(36,37)19-3-2-14(23)9-30-19)20(35)31-6-12-4-17(29-10-16(12)25)13-7-32-21(33-8-13)22(26,27)28/h2-4,7-11,15,18H,5-6H2,1H3,(H,31,35)/t11-,15-,18-/m1/s1.
What are the key properties of (2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide?
(2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide has a molecular weight of 560.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-4-fluoro-1-[(5-fluoro-2-pyridinyl)sulfonyl]-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-5-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 134249011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).