3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C96H83F20N15O12S4 — CID 163487334

IUPAC3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(F)(F)c1ccc(-c2cc(F)cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)nn1.CC(F)(F)c1cnc(-c2cc(CCC(=O)[C@@H]3[C@@H](F)CCN3S(=O)(=O)c3ccc(F)cc3)ccc2F)cn1.CC(F)(F)c1ncc(-c2cc(F)cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)cn1.O=C(NCc1cc(F)cc(-c2cnc(C(F)F)cn2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H22F5N3O3S.2C24H21F5N4O3S.C23H19F5N4O3S/c1-25(29,30)23-14-31-21(13-32-23)18-12-15(2-8-19(18)27)3-9-22(34)24-20(28)10-11-33(24)37(35,36)17-6-4-16(26)5-7-17;1-24(28,29)23-31-11-16(12-32-23)15-6-14(7-18(26)8-15)10-30-22(34)21-9-19(27)13-33(21)37(35,36)20-4-2-17(25)3-5-20;1-24(28,29)22-7-6-20(31-32-22)15-8-14(9-17(26)10-15)12-30-23(34)21-11-18(27)13-33(21)37(35,36)19-4-2-16(25)3-5-19;24-15-1-3-18(4-2-15)36(34,35)32-12-17(26)8-21(32)23(33)31-9-13-5-14(7-16(25)6-13)19-10-30-20(11-29-19)22(27)28/h2,4-8,12-14,20,24H,3,9-11H2,1H3;2-8,11-12,19,21H,9-10,13H2,1H3,(H,30,34);2-10,18,21H,11-13H2,1H3,(H,30,34);1-7,10-11,17,21-22H,8-9,12H2,(H,31,33)/t20-,24-;19-,21+;18-,21+;17-,21+/m0111/s1
InChIKeyCJQUQYQAADQUDC-PMESJTSNSA-N
MW2147.04 g/mol
LogP16.52
Rot. Bonds29

About 3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 163487334) has the molecular formula C96H83F20N15O12S4 and a molecular weight of 2147.04 g/mol. Its IUPAC name is 3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID163487334
Molecular FormulaC96H83F20N15O12S4
Molecular Weight2147.04 g/mol
Exact Mass2145.49
IUPAC Name3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(F)(F)c1ccc(-c2cc(F)cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)nn1.CC(F)(F)c1cnc(-c2cc(CCC(=O)[C@@H]3[C@@H](F)CCN3S(=O)(=O)c3ccc(F)cc3)ccc2F)cn1.CC(F)(F)c1ncc(-c2cc(F)cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)cn1.O=C(NCc1cc(F)cc(-c2cnc(C(F)F)cn2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C25H22F5N3O3S.2C24H21F5N4O3S.C23H19F5N4O3S/c1-25(29,30)23-14-31-21(13-32-23)18-12-15(2-8-19(18)27)3-9-22(34)24-20(28)10-11-33(24)37(35,36)17-6-4-16(26)5-7-17;1-24(28,29)23-31-11-16(12-32-23)15-6-14(7-18(26)8-15)10-30-22(34)21-9-19(27)13-33(21)37(35,36)20-4-2-17(25)3-5-20;1-24(28,29)22-7-6-20(31-32-22)15-8-14(9-17(26)10-15)12-30-23(34)21-11-18(27)13-33(21)37(35,36)19-4-2-16(25)3-5-19;24-15-1-3-18(4-2-15)36(34,35)32-12-17(26)8-21(32)23(33)31-9-13-5-14(7-16(25)6-13)19-10-30-20(11-29-19)22(27)28/h2,4-8,12-14,20,24H,3,9-11H2,1H3;2-8,11-12,19,21H,9-10,13H2,1H3,(H,30,34);2-10,18,21H,11-13H2,1H3,(H,30,34);1-7,10-11,17,21-22H,8-9,12H2,(H,31,33)/t20-,24-;19-,21+;18-,21+;17-,21+/m0111/s1
InChIKeyCJQUQYQAADQUDC-PMESJTSNSA-N
XLogP16.52
TPSA357.01 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002147.04
LogP ≤ 516.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S,4R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 163905216
3-[5-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-(trifluoromethyl)phenyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-[2,3-difluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-5-methylpyrrolidine-2-carboxamide;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-fluoro-3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;methane
CID 157371528
3-[2-(azetidin-1-yl)-6-[2-(trifluoromethyl)pyrimidin-5-yl]pyrimidin-4-yl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[2-fluoro-5-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-5-methylpyrrolidine-2-carboxamide;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]propan-1-one;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-fluoro-3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]propan-1-one;methane
CID 159307759
1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[3-fluoro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]propan-1-one
CID 159613368
(4R)-N-[[2-cyclopropyl-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 122534081
(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[5-(trifluoromethyl)piperidin-2-yl]phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[5-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 159092585
4-fluoro-N-[[3-fluoro-5-[2-methoxy-6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 118008421
4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 123718728
3-[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-methoxy-4-pyridinyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one
CID 163860120
4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[3-fluoro-5-[5-(trifluoromethyl)pyrazin-2-yl]phenyl]methyl]-4-methylpyrrolidine-2-carboxamide
CID 118008249
(1S,2S,5R)-N-[[2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluoro-4-pyridinyl]methyl]-3-(4-fluorophenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 122532933
(1S,2S,5R)-3-(4-fluorophenyl)sulfonyl-N-[[4-fluoro-3-[2-(trifluoromethyl)pyrimidin-5-yl]phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 122490217

Frequently Asked Questions

What is the IUPAC name of 3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 163487334) is 3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is CC(F)(F)c1ccc(-c2cc(F)cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)nn1.CC(F)(F)c1cnc(-c2cc(CCC(=O)[C@@H]3[C@@H](F)CCN3S(=O)(=O)c3ccc(F)cc3)ccc2F)cn1.CC(F)(F)c1ncc(-c2cc(F)cc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)cn1.O=C(NCc1cc(F)cc(-c2cnc(C(F)F)cn2)c1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is CJQUQYQAADQUDC-PMESJTSNSA-N. The full InChI is InChI=1S/C25H22F5N3O3S.2C24H21F5N4O3S.C23H19F5N4O3S/c1-25(29,30)23-14-31-21(13-32-23)18-12-15(2-8-19(18)27)3-9-22(34)24-20(28)10-11-33(24)37(35,36)17-6-4-16(26)5-7-17;1-24(28,29)23-31-11-16(12-32-23)15-6-14(7-18(26)8-15)10-30-22(34)21-9-19(27)13-33(21)37(35,36)20-4-2-17(25)3-5-20;1-24(28,29)22-7-6-20(31-32-22)15-8-14(9-17(26)10-15)12-30-23(34)21-11-18(27)13-33(21)37(35,36)19-4-2-16(25)3-5-19;24-15-1-3-18(4-2-15)36(34,35)32-12-17(26)8-21(32)23(33)31-9-13-5-14(7-16(25)6-13)19-10-30-20(11-29-19)22(27)28/h2,4-8,12-14,20,24H,3,9-11H2,1H3;2-8,11-12,19,21H,9-10,13H2,1H3,(H,30,34);2-10,18,21H,11-13H2,1H3,(H,30,34);1-7,10-11,17,21-22H,8-9,12H2,(H,31,33)/t20-,24-;19-,21+;18-,21+;17-,21+/m0111/s1.
What are the key properties of 3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 2147.04 g/mol, XLogP of 16.52, 29 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[5-(1,1-difluoroethyl)pyrazin-2-yl]-4-fluorophenyl]-1-[(2R,3S)-3-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[3-[6-(1,1-difluoroethyl)pyridazin-3-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[3-[5-(difluoromethyl)pyrazin-2-yl]-5-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163487334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).