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

C82H76F11IN16O11 — CID 158755824

About 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-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]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine (PubChem CID 158755824) has the molecular formula C82H76F11IN16O11 and a molecular weight of 1797.49 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-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]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine
• PubChem CID: 158755824
• Molecular Formula: C82H76F11IN16O11
• Molecular Weight: 1797.49 g/mol
• Exact Mass: 1796.47
• IUPAC Name: 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine
• SMILES: CC(F)(F)C(=O)O.CN.COc1cc([C@@H]2[C@@H](NC(=O)C(C)(F)F)CC(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)ccn1.COc1cc([C@H]2NC(=O)C[C@@H]2NC(=O)C(C)(F)F)ccn1.COc1cc([C@H]2[C@H](NC(=O)C(C)(F)F)CC(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)ccn1.Fc1ccc(-n2ncc3cc(I)ccc32)cc1
• InChI: InChI=1S/2C26H22F3N5O3.C13H15F2N3O3.C13H8FIN2.C3H4F2O2.CH5N/c2*1-26(28,29)25(36)32-20-13-23(35)33(24(20)15-9-10-30-22(12-15)37-2)19-7-8-21-16(11-19)14-31-34(21)18-5-3-17(27)4-6-18;1-13(14,15)12(20)17-8-6-9(19)18-11(8)7-3-4-16-10(5-7)21-2;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*3-12,14,20,24H,13H2,1-2H3,(H,32,36);3-5,8,11H,6H2,1-2H3,(H,17,20)(H,18,19);1-8H;1H3,(H,6,7);2H2,1H3/t2*20-,24+;8-,11+;;;/m100.../s1
• InChIKey: IOBICPJBUBIMNP-ADMMLHMPSA-N
• XLogP: 13.23
• TPSA: 340.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1797.49
LogP ≤ 5	13.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

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]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-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]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine (CID 158755824) is 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-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]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-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]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine is CC(F)(F)C(=O)O.CN.COc1cc([C@@H]2[C@@H](NC(=O)C(C)(F)F)CC(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)ccn1.COc1cc([C@H]2NC(=O)C[C@@H]2NC(=O)C(C)(F)F)ccn1.COc1cc([C@H]2[C@H](NC(=O)C(C)(F)F)CC(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)ccn1.Fc1ccc(-n2ncc3cc(I)ccc32)cc1.

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

The InChIKey is IOBICPJBUBIMNP-ADMMLHMPSA-N. The full InChI is InChI=1S/2C26H22F3N5O3.C13H15F2N3O3.C13H8FIN2.C3H4F2O2.CH5N/c2*1-26(28,29)25(36)32-20-13-23(35)33(24(20)15-9-10-30-22(12-15)37-2)19-7-8-21-16(11-19)14-31-34(21)18-5-3-17(27)4-6-18;1-13(14,15)12(20)17-8-6-9(19)18-11(8)7-3-4-16-10(5-7)21-2;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*3-12,14,20,24H,13H2,1-2H3,(H,32,36);3-5,8,11H,6H2,1-2H3,(H,17,20)(H,18,19);1-8H;1H3,(H,6,7);2H2,1H3/t2*20-,24+;8-,11+;;;/m100.../s1.

What are the key properties of 2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-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]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine has a molecular weight of 1797.49 g/mol, XLogP of 13.23, 18 rotatable bonds, 6 hydrogen bond donors, and 20 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]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-methoxy-4-pyridinyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine is sourced from PubChem (CID 158755824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).