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

C96H89F15IN15O13 — CID 159735625

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

(4S,5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine (PubChem CID 159735625) has the molecular formula C96H89F15IN15O13 and a molecular weight of 2072.73 g/mol. Its IUPAC name is (4S,5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine.

Molecular Properties

• Compound Name: (4S,5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine
• PubChem CID: 159735625
• Molecular Formula: C96H89F15IN15O13
• Molecular Weight: 2072.73 g/mol
• Exact Mass: 2071.56
• IUPAC Name: (4S,5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-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)ccc1F.COc1cc([C@H]2NC(=O)C[C@@H]2N)ccc1F.COc1cc([C@H]2NC(=O)C[C@@H]2NC(=O)C(C)(F)F)ccc1F.COc1cc([C@H]2[C@H](NC(=O)C(C)(F)F)CC(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)ccc1F.Fc1ccc(-n2ncc3cc(I)ccc32)cc1
• InChI: InChI=1S/2C27H22F4N4O3.C14H15F3N2O3.C13H8FIN2.C11H13FN2O2.C3H4F2O2.CH5N/c2*1-27(30,31)26(37)33-21-13-24(36)34(25(21)15-3-9-20(29)23(12-15)38-2)19-8-10-22-16(11-19)14-32-35(22)18-6-4-17(28)5-7-18;1-14(16,17)13(21)18-9-6-11(20)19-12(9)7-3-4-8(15)10(5-7)22-2;14-10-1-4-12(5-2-10)17-13-6-3-11(15)7-9(13)8-16-17;1-16-9-4-6(2-3-7(9)12)11-8(13)5-10(15)14-11;1-3(4,5)2(6)7;1-2/h2*3-12,14,21,25H,13H2,1-2H3,(H,33,37);3-5,9,12H,6H2,1-2H3,(H,18,21)(H,19,20);1-8H;2-4,8,11H,5,13H2,1H3,(H,14,15);1H3,(H,6,7);2H2,1H3/t2*21-,25+;9-,12+;;8-,11+;;/m100.0../s1
• InChIKey: NBULKBJCUKASJQ-BMARRNDDSA-N
• XLogP: 16.19
• TPSA: 365.84 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2072.73
LogP ≤ 5	16.19
H-Bond Donors ≤ 5	8
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 (4S,5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine?

The IUPAC name of (4S,5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine (CID 159735625) is (4S,5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine.

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

The canonical SMILES for (4S,5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-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)ccc1F.COc1cc([C@H]2NC(=O)C[C@@H]2N)ccc1F.COc1cc([C@H]2NC(=O)C[C@@H]2NC(=O)C(C)(F)F)ccc1F.COc1cc([C@H]2[C@H](NC(=O)C(C)(F)F)CC(=O)N2c2ccc3c(cnn3-c3ccc(F)cc3)c2)ccc1F.Fc1ccc(-n2ncc3cc(I)ccc32)cc1.

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

The InChIKey is NBULKBJCUKASJQ-BMARRNDDSA-N. The full InChI is InChI=1S/2C27H22F4N4O3.C14H15F3N2O3.C13H8FIN2.C11H13FN2O2.C3H4F2O2.CH5N/c2*1-27(30,31)26(37)33-21-13-24(36)34(25(21)15-3-9-20(29)23(12-15)38-2)19-8-10-22-16(11-19)14-32-35(22)18-6-4-17(28)5-7-18;1-14(16,17)13(21)18-9-6-11(20)19-12(9)7-3-4-8(15)10(5-7)22-2;14-10-1-4-12(5-2-10)17-13-6-3-11(15)7-9(13)8-16-17;1-16-9-4-6(2-3-7(9)12)11-8(13)5-10(15)14-11;1-3(4,5)2(6)7;1-2/h2*3-12,14,21,25H,13H2,1-2H3,(H,33,37);3-5,9,12H,6H2,1-2H3,(H,18,21)(H,19,20);1-8H;2-4,8,11H,5,13H2,1H3,(H,14,15);1H3,(H,6,7);2H2,1H3/t2*21-,25+;9-,12+;;8-,11+;;/m100.0../s1.

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

(4S,5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine has a molecular weight of 2072.73 g/mol, XLogP of 16.19, 20 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-4-amino-5-(4-fluoro-3-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(2S,3R)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-2-(4-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide;2,2-difluoropropanoic acid;1-(4-fluorophenyl)-5-iodoindazole;methanamine is sourced from PubChem (CID 159735625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).