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

C94H86F11IN14O9 — CID 157388707

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

(4S)-4-amino-5-(2-methylphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole (PubChem CID 157388707) has the molecular formula C94H86F11IN14O9 and a molecular weight of 1891.69 g/mol. Its IUPAC name is (4S)-4-amino-5-(2-methylphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole.

Molecular Properties

• Compound Name: (4S)-4-amino-5-(2-methylphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole
• PubChem CID: 157388707
• Molecular Formula: C94H86F11IN14O9
• Molecular Weight: 1891.69 g/mol
• Exact Mass: 1890.56
• IUPAC Name: (4S)-4-amino-5-(2-methylphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole
• 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)O.Cc1ccccc1C1NC(=O)C[C@@H]1N.Cc1ccccc1C1NC(=O)C[C@@H]1NC(=O)C(C)(F)F.Cc1ccccc1[C@@H]1[C@@H](NC(=O)C(C)(F)F)CC(=O)N1c1ccc2c(cnn2-c2ccc(F)cc2)c1.Fc1ccc(-n2ncc3cc(I)ccc32)cc1
• InChI: InChI=1S/C27H23F3N4O2.C26H21F3N4O2.C14H16F2N2O2.C13H8FIN2.C11H14N2O.C3H4F2O2/c1-16-5-3-4-6-21(16)25-22(32-26(36)27(2,29)30)14-24(35)33(25)20-11-12-23-17(13-20)15-31-34(23)19-9-7-18(28)8-10-19;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;1-8-5-3-4-6-9(8)12-10(7-11(19)18-12)17-13(20)14(2,15)16;14-10-1-4-12(5-2-10)17-13-6-3-11(15)7-9(13)8-16-17;1-7-4-2-3-5-8(7)11-9(12)6-10(14)13-11;1-3(4,5)2(6)7/h3-13,15,22,25H,14H2,1-2H3,(H,32,36);2-13,15,21,24H,14H2,1H3,(H,31,35);3-6,10,12H,7H2,1-2H3,(H,17,20)(H,18,19);1-8H;2-5,9,11H,6,12H2,1H3,(H,13,14);1H3,(H,6,7)/t22-,25+;21-,24+;10-,12?;;9-,11?;/m010.0./s1
• InChIKey: BLSYWTDDDXBNNI-RJYVXMCFSA-N
• XLogP: 16.95
• TPSA: 302.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1891.69
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (4S)-4-amino-5-(2-methylphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole (CID 157388707) is (4S)-4-amino-5-(2-methylphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole.

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

The canonical SMILES for (4S)-4-amino-5-(2-methylphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole 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)O.Cc1ccccc1C1NC(=O)C[C@@H]1N.Cc1ccccc1C1NC(=O)C[C@@H]1NC(=O)C(C)(F)F.Cc1ccccc1[C@@H]1[C@@H](NC(=O)C(C)(F)F)CC(=O)N1c1ccc2c(cnn2-c2ccc(F)cc2)c1.Fc1ccc(-n2ncc3cc(I)ccc32)cc1.

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

The InChIKey is BLSYWTDDDXBNNI-RJYVXMCFSA-N. The full InChI is InChI=1S/C27H23F3N4O2.C26H21F3N4O2.C14H16F2N2O2.C13H8FIN2.C11H14N2O.C3H4F2O2/c1-16-5-3-4-6-21(16)25-22(32-26(36)27(2,29)30)14-24(35)33(25)20-11-12-23-17(13-20)15-31-34(23)19-9-7-18(28)8-10-19;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;1-8-5-3-4-6-9(8)12-10(7-11(19)18-12)17-13(20)14(2,15)16;14-10-1-4-12(5-2-10)17-13-6-3-11(15)7-9(13)8-16-17;1-7-4-2-3-5-8(7)11-9(12)6-10(14)13-11;1-3(4,5)2(6)7/h3-13,15,22,25H,14H2,1-2H3,(H,32,36);2-13,15,21,24H,14H2,1H3,(H,31,35);3-6,10,12H,7H2,1-2H3,(H,17,20)(H,18,19);1-8H;2-5,9,11H,6,12H2,1H3,(H,13,14);1H3,(H,6,7)/t22-,25+;21-,24+;10-,12?;;9-,11?;/m010.0./s1.

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

(4S)-4-amino-5-(2-methylphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole has a molecular weight of 1891.69 g/mol, XLogP of 16.95, 16 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-amino-5-(2-methylphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2S,3R)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-methylphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole is sourced from PubChem (CID 157388707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).