(4S,5R)-4-amino-5-(3,5-difluorophenyl)pyrrolidin-2-one;N-[(2R,3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3,5-difluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;ethane

C54H51F13N8O7 — CID 159958204

About (4S,5R)-4-amino-5-(3,5-difluorophenyl)pyrrolidin-2-one;N-[(2R,3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3,5-difluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;ethane

(4S,5R)-4-amino-5-(3,5-difluorophenyl)pyrrolidin-2-one;N-[(2R,3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3,5-difluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;ethane (PubChem CID 159958204) has the molecular formula C54H51F13N8O7 and a molecular weight of 1171.02 g/mol. Its IUPAC name is (4S,5R)-4-amino-5-(3,5-difluorophenyl)pyrrolidin-2-one;N-[(2R,3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3,5-difluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;ethane.

Molecular Properties

• Compound Name: (4S,5R)-4-amino-5-(3,5-difluorophenyl)pyrrolidin-2-one;N-[(2R,3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3,5-difluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;ethane
• PubChem CID: 159958204
• Molecular Formula: C54H51F13N8O7
• Molecular Weight: 1171.02 g/mol
• Exact Mass: 1170.37
• IUPAC Name: (4S,5R)-4-amino-5-(3,5-difluorophenyl)pyrrolidin-2-one;N-[(2R,3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3,5-difluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;ethane
• SMILES: CC.CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1cc(F)cc(F)c1.CC(F)(F)C(=O)N[C@H]1CC(=O)N[C@@H]1c1cc(F)cc(F)c1.CC(F)(F)C(=O)O.N[C@H]1CC(=O)N[C@@H]1c1cc(F)cc(F)c1
• InChI: InChI=1S/C26H19F5N4O2.C13H12F4N2O2.C10H10F2N2O.C3H4F2O2.C2H6/c1-26(30,31)25(37)33-21-12-23(36)34(24(21)14-8-17(28)11-18(29)9-14)20-6-7-22-15(10-20)13-32-35(22)19-4-2-16(27)3-5-19;1-13(16,17)12(21)18-9-5-10(20)19-11(9)6-2-7(14)4-8(15)3-6;11-6-1-5(2-7(12)3-6)10-8(13)4-9(15)14-10;1-3(4,5)2(6)7;1-2/h2-11,13,21,24H,12H2,1H3,(H,33,37);2-4,9,11H,5H2,1H3,(H,18,21)(H,19,20);1-3,8,10H,4,13H2,(H,14,15);1H3,(H,6,7);1-2H3/t21-,24+;9-,11+;8-,10+;;/m000../s1
• InChIKey: OCZFZDDUQJKLDH-IWJTZDOISA-N
• XLogP: 9.33
• TPSA: 217.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1171.02
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-amino-5-(3,5-difluorophenyl)pyrrolidin-2-one;N-[(2R,3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3,5-difluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;ethane?

The IUPAC name of (4S,5R)-4-amino-5-(3,5-difluorophenyl)pyrrolidin-2-one;N-[(2R,3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3,5-difluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;ethane (CID 159958204) is (4S,5R)-4-amino-5-(3,5-difluorophenyl)pyrrolidin-2-one;N-[(2R,3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3,5-difluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;ethane.

What is the SMILES notation for (4S,5R)-4-amino-5-(3,5-difluorophenyl)pyrrolidin-2-one;N-[(2R,3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3,5-difluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;ethane?

The canonical SMILES for (4S,5R)-4-amino-5-(3,5-difluorophenyl)pyrrolidin-2-one;N-[(2R,3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3,5-difluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;ethane is CC.CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1cc(F)cc(F)c1.CC(F)(F)C(=O)N[C@H]1CC(=O)N[C@@H]1c1cc(F)cc(F)c1.CC(F)(F)C(=O)O.N[C@H]1CC(=O)N[C@@H]1c1cc(F)cc(F)c1.

What is the InChIKey of (4S,5R)-4-amino-5-(3,5-difluorophenyl)pyrrolidin-2-one;N-[(2R,3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3,5-difluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;ethane?

The InChIKey is OCZFZDDUQJKLDH-IWJTZDOISA-N. The full InChI is InChI=1S/C26H19F5N4O2.C13H12F4N2O2.C10H10F2N2O.C3H4F2O2.C2H6/c1-26(30,31)25(37)33-21-12-23(36)34(24(21)14-8-17(28)11-18(29)9-14)20-6-7-22-15(10-20)13-32-35(22)19-4-2-16(27)3-5-19;1-13(16,17)12(21)18-9-5-10(20)19-11(9)6-2-7(14)4-8(15)3-6;11-6-1-5(2-7(12)3-6)10-8(13)4-9(15)14-10;1-3(4,5)2(6)7;1-2/h2-11,13,21,24H,12H2,1H3,(H,33,37);2-4,9,11H,5H2,1H3,(H,18,21)(H,19,20);1-3,8,10H,4,13H2,(H,14,15);1H3,(H,6,7);1-2H3/t21-,24+;9-,11+;8-,10+;;/m000../s1.

What are the key properties of (4S,5R)-4-amino-5-(3,5-difluorophenyl)pyrrolidin-2-one;N-[(2R,3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3,5-difluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;ethane?

(4S,5R)-4-amino-5-(3,5-difluorophenyl)pyrrolidin-2-one;N-[(2R,3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3,5-difluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;ethane has a molecular weight of 1171.02 g/mol, XLogP of 9.33, 10 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-4-amino-5-(3,5-difluorophenyl)pyrrolidin-2-one;N-[(2R,3S)-2-(3,5-difluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(2R,3S)-2-(3,5-difluorophenyl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;2,2-difluoropropanoic acid;ethane is sourced from PubChem (CID 159958204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).