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

C95H84F15IN14O13 — CID 159555832

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

(4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole (PubChem CID 159555832) has the molecular formula C95H84F15IN14O13 and a molecular weight of 2041.68 g/mol. Its IUPAC name is (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole.

Molecular Properties

• Compound Name: (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole
• PubChem CID: 159555832
• Molecular Formula: C95H84F15IN14O13
• Molecular Weight: 2041.68 g/mol
• Exact Mass: 2040.51
• IUPAC Name: (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole
• SMILES: CC(F)(F)C(=O)O.COc1ccc(F)c(C2NC(=O)C[C@@H]2N)c1.COc1ccc(F)c(C2NC(=O)C[C@@H]2NC(=O)C(C)(F)F)c1.COc1ccc(F)c([C@@H]2[C@@H](NC(=O)C(C)(F)F)CC(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.COc1ccc(F)c([C@H]2[C@H](NC(=O)C(C)(F)F)CC(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.Fc1ccc(-n2ncc3cc(I)ccc32)cc1
• InChI: InChI=1S/2C27H22F4N4O3.C14H15F3N2O3.C13H8FIN2.C11H13FN2O2.C3H4F2O2/c2*1-27(30,31)26(37)33-22-13-24(36)34(25(22)20-12-19(38-2)8-9-21(20)29)18-7-10-23-15(11-18)14-32-35(23)17-5-3-16(28)4-6-17;1-14(16,17)13(21)18-10-6-11(20)19-12(10)8-5-7(22-2)3-4-9(8)15;14-10-1-4-12(5-2-10)17-13-6-3-11(15)7-9(13)8-16-17;1-16-6-2-3-8(12)7(4-6)11-9(13)5-10(15)14-11;1-3(4,5)2(6)7/h2*3-12,14,22,25H,13H2,1-2H3,(H,33,37);3-5,10,12H,6H2,1-2H3,(H,18,21)(H,19,20);1-8H;2-4,9,11H,5,13H2,1H3,(H,14,15);1H3,(H,6,7)/t2*22-,25+;10-,12?;;9-,11?;/m100.0./s1
• InChIKey: MFZACIBUIXAZNQ-MRABVCDLSA-N
• XLogP: 16.61
• TPSA: 339.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 20
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2041.68
LogP ≤ 5	16.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

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-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole?

The IUPAC name of (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole (CID 159555832) is (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-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-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole?

The canonical SMILES for (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole is CC(F)(F)C(=O)O.COc1ccc(F)c(C2NC(=O)C[C@@H]2N)c1.COc1ccc(F)c(C2NC(=O)C[C@@H]2NC(=O)C(C)(F)F)c1.COc1ccc(F)c([C@@H]2[C@@H](NC(=O)C(C)(F)F)CC(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.COc1ccc(F)c([C@H]2[C@H](NC(=O)C(C)(F)F)CC(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)c1.Fc1ccc(-n2ncc3cc(I)ccc32)cc1.

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

The InChIKey is MFZACIBUIXAZNQ-MRABVCDLSA-N. The full InChI is InChI=1S/2C27H22F4N4O3.C14H15F3N2O3.C13H8FIN2.C11H13FN2O2.C3H4F2O2/c2*1-27(30,31)26(37)33-22-13-24(36)34(25(22)20-12-19(38-2)8-9-21(20)29)18-7-10-23-15(11-18)14-32-35(23)17-5-3-16(28)4-6-17;1-14(16,17)13(21)18-10-6-11(20)19-12(10)8-5-7(22-2)3-4-9(8)15;14-10-1-4-12(5-2-10)17-13-6-3-11(15)7-9(13)8-16-17;1-16-6-2-3-8(12)7(4-6)11-9(13)5-10(15)14-11;1-3(4,5)2(6)7/h2*3-12,14,22,25H,13H2,1-2H3,(H,33,37);3-5,10,12H,6H2,1-2H3,(H,18,21)(H,19,20);1-8H;2-4,9,11H,5,13H2,1H3,(H,14,15);1H3,(H,6,7)/t2*22-,25+;10-,12?;;9-,11?;/m100.0./s1.

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

(4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole has a molecular weight of 2041.68 g/mol, XLogP of 16.61, 20 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(2-fluoro-5-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole is sourced from PubChem (CID 159555832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).