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

C97H89F18N17O12S4 — CID 163828721

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

(2S,4R)-N-[[5-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;3-[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-6-methyl-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 163828721) has the molecular formula C97H89F18N17O12S4 and a molecular weight of 2155.12 g/mol. Its IUPAC name is (2S,4R)-N-[[5-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;3-[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-6-methyl-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-N-[[5-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;3-[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-6-methyl-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
• PubChem CID: 163828721
• Molecular Formula: C97H89F18N17O12S4
• Molecular Weight: 2155.12 g/mol
• Exact Mass: 2153.55
• IUPAC Name: (2S,4R)-N-[[5-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;3-[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-6-methyl-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
• SMILES: CC(F)(F)c1cnc(-c2ccc(F)c(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)cn1.CC(F)(F)c1ncc(-c2cc(F)cc(CCC(=O)[C@@H]3C[C@@](C)(F)CN3S(=O)(=O)c3ccc(F)cc3)c2)cn1.CC(F)(F)c1ncc(-c2ccnc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)cn1.Cc1cc(-c2cnc(C(C)(F)F)nc2)cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)n1
• InChI: InChI=1S/C26H24F5N3O3S.C24H21F5N4O3S.C24H23F4N5O3S.C23H21F4N5O3S/c1-25(29)12-22(34(15-25)38(36,37)21-6-4-19(27)5-7-21)23(35)8-3-16-9-17(11-20(28)10-16)18-13-32-24(33-14-18)26(2,30)31;1-24(28,29)22-12-30-20(11-31-22)14-2-7-19(27)15(8-14)10-32-23(34)21-9-17(26)13-33(21)37(35,36)18-5-3-16(25)4-6-18;1-14-7-15(16-10-30-23(31-11-16)24(2,27)28)8-19(32-14)12-29-22(34)21-9-18(26)13-33(21)37(35,36)20-5-3-17(25)4-6-20;1-23(26,27)22-30-10-15(11-31-22)14-6-7-28-18(8-14)12-29-21(33)20-9-17(25)13-32(20)36(34,35)19-4-2-16(24)3-5-19/h4-7,9-11,13-14,22H,3,8,12,15H2,1-2H3;2-8,11-12,17,21H,9-10,13H2,1H3,(H,32,34);3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,29,34);2-8,10-11,17,20H,9,12-13H2,1H3,(H,29,33)/t22-,25+;17-,21+;18-,21+;17-,20+/m0111/s1
• InChIKey: OBUWWXDTUJESLQ-FECHAXCUSA-N
• XLogP: 15.90
• TPSA: 382.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2155.12
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[[5-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;3-[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-6-methyl-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?

The IUPAC name of (2S,4R)-N-[[5-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;3-[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-6-methyl-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 163828721) is (2S,4R)-N-[[5-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;3-[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-6-methyl-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,4R)-N-[[5-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;3-[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-6-methyl-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?

The canonical SMILES for (2S,4R)-N-[[5-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;3-[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-6-methyl-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is CC(F)(F)c1cnc(-c2ccc(F)c(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)cn1.CC(F)(F)c1ncc(-c2cc(F)cc(CCC(=O)[C@@H]3C[C@@](C)(F)CN3S(=O)(=O)c3ccc(F)cc3)c2)cn1.CC(F)(F)c1ncc(-c2ccnc(CNC(=O)[C@@H]3C[C@@H](F)CN3S(=O)(=O)c3ccc(F)cc3)c2)cn1.Cc1cc(-c2cnc(C(C)(F)F)nc2)cc(CNC(=O)[C@@H]2C[C@@H](F)CN2S(=O)(=O)c2ccc(F)cc2)n1.

What is the InChIKey of (2S,4R)-N-[[5-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;3-[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-6-methyl-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?

The InChIKey is OBUWWXDTUJESLQ-FECHAXCUSA-N. The full InChI is InChI=1S/C26H24F5N3O3S.C24H21F5N4O3S.C24H23F4N5O3S.C23H21F4N5O3S/c1-25(29)12-22(34(15-25)38(36,37)21-6-4-19(27)5-7-21)23(35)8-3-16-9-17(11-20(28)10-16)18-13-32-24(33-14-18)26(2,30)31;1-24(28,29)22-12-30-20(11-31-22)14-2-7-19(27)15(8-14)10-32-23(34)21-9-17(26)13-33(21)37(35,36)18-5-3-16(25)4-6-18;1-14-7-15(16-10-30-23(31-11-16)24(2,27)28)8-19(32-14)12-29-22(34)21-9-18(26)13-33(21)37(35,36)20-5-3-17(25)4-6-20;1-23(26,27)22-30-10-15(11-31-22)14-6-7-28-18(8-14)12-29-21(33)20-9-17(25)13-32(20)36(34,35)19-4-2-16(24)3-5-19/h4-7,9-11,13-14,22H,3,8,12,15H2,1-2H3;2-8,11-12,17,21H,9-10,13H2,1H3,(H,32,34);3-8,10-11,18,21H,9,12-13H2,1-2H3,(H,29,34);2-8,10-11,17,20H,9,12-13H2,1H3,(H,29,33)/t22-,25+;17-,21+;18-,21+;17-,20+/m0111/s1.

What are the key properties of (2S,4R)-N-[[5-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;3-[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-6-methyl-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?

(2S,4R)-N-[[5-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;3-[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-6-methyl-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 2155.12 g/mol, XLogP of 15.90, 29 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-N-[[5-[5-(1,1-difluoroethyl)pyrazin-2-yl]-2-fluorophenyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;3-[3-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-5-fluorophenyl]-1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-4-methylpyrrolidin-2-yl]propan-1-one;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-6-methyl-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide;(2S,4R)-N-[[4-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-pyridinyl]methyl]-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163828721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).