2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine

C82H73F11IN13O8 — CID 158253623

About 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine

2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine (PubChem CID 158253623) has the molecular formula C82H73F11IN13O8 and a molecular weight of 1704.45 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine
• PubChem CID: 158253623
• Molecular Formula: C82H73F11IN13O8
• Molecular Weight: 1704.45 g/mol
• Exact Mass: 1703.46
• IUPAC Name: 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine
• SMILES: CC(F)(F)C(=O)N[C@@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N[C@@H]1c1ccccc1.CC(F)(F)C(=O)O.CN.Fc1ccc(-n2ncc3cc(I)ccc32)cc1
• InChI: InChI=1S/2C26H21F3N4O2.C13H14F2N2O2.C13H8FIN2.C3H4F2O2.CH5N/c2*1-26(28,29)25(35)31-21-14-23(34)32(24(21)16-5-3-2-4-6-16)20-11-12-22-17(13-20)15-30-33(22)19-9-7-18(27)8-10-19;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;14-10-1-4-12(5-2-10)17-13-6-3-11(15)7-9(13)8-16-17;1-3(4,5)2(6)7;1-2/h2*2-13,15,21,24H,14H2,1H3,(H,31,35);2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);1-8H;1H3,(H,6,7);2H2,1H3/t2*21-,24+;9-,11+;;;/m100.../s1
• InChIKey: GGZYXAHWNZZQET-SKJHYQSQSA-N
• XLogP: 15.02
• TPSA: 273.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1704.45
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine?

The IUPAC name of 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine (CID 158253623) is 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine.

What is the SMILES notation for 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine?

The canonical SMILES for 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine is CC(F)(F)C(=O)N[C@@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N[C@@H]1c1ccccc1.CC(F)(F)C(=O)O.CN.Fc1ccc(-n2ncc3cc(I)ccc32)cc1.

What is the InChIKey of 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine?

The InChIKey is GGZYXAHWNZZQET-SKJHYQSQSA-N. The full InChI is InChI=1S/2C26H21F3N4O2.C13H14F2N2O2.C13H8FIN2.C3H4F2O2.CH5N/c2*1-26(28,29)25(35)31-21-14-23(34)32(24(21)16-5-3-2-4-6-16)20-11-12-22-17(13-20)15-30-33(22)19-9-7-18(27)8-10-19;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;14-10-1-4-12(5-2-10)17-13-6-3-11(15)7-9(13)8-16-17;1-3(4,5)2(6)7;1-2/h2*2-13,15,21,24H,14H2,1H3,(H,31,35);2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);1-8H;1H3,(H,6,7);2H2,1H3/t2*21-,24+;9-,11+;;;/m100.../s1.

What are the key properties of 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine?

2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine has a molecular weight of 1704.45 g/mol, XLogP of 15.02, 15 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine is sourced from PubChem (CID 158253623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).