(4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-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;5-iodo-1-methylindazole;methanamine

C59H65F9IN11O10 — CID 158576079

About (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-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;5-iodo-1-methylindazole;methanamine

(4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-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;5-iodo-1-methylindazole;methanamine (PubChem CID 158576079) has the molecular formula C59H65F9IN11O10 and a molecular weight of 1386.12 g/mol. Its IUPAC name is (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-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;5-iodo-1-methylindazole;methanamine.

Molecular Properties

• Compound Name: (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-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;5-iodo-1-methylindazole;methanamine
• PubChem CID: 158576079
• Molecular Formula: C59H65F9IN11O10
• Molecular Weight: 1386.12 g/mol
• Exact Mass: 1385.38
• IUPAC Name: (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-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;5-iodo-1-methylindazole;methanamine
• SMILES: CC(F)(F)C(=O)O.CN.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(C2[C@@H](NC(=O)C(C)(F)F)CC(=O)N2c2ccc3c(cnn3C)c2)c1.Cn1ncc2cc(I)ccc21
• InChI: InChI=1S/C22H21F3N4O3.C14H15F3N2O3.C11H13FN2O2.C8H7IN2.C3H4F2O2.CH5N/c1-22(24,25)21(31)27-17-10-19(30)29(13-4-7-18-12(8-13)11-26-28(18)2)20(17)15-9-14(32-3)5-6-16(15)23;1-14(16,17)13(21)18-10-6-11(20)19-12(10)8-5-7(22-2)3-4-9(8)15;1-16-6-2-3-8(12)7(4-6)11-9(13)5-10(15)14-11;1-11-8-3-2-7(9)4-6(8)5-10-11;1-3(4,5)2(6)7;1-2/h4-9,11,17,20H,10H2,1-3H3,(H,27,31);3-5,10,12H,6H2,1-2H3,(H,18,21)(H,19,20);2-4,9,11H,5,13H2,1H3,(H,14,15);2-5H,1H3;1H3,(H,6,7);2H2,1H3/t17-,20?;10-,12?;9-,11?;;;/m000.../s1
• InChIKey: HSRDFRAFYHMBRZ-MPLTTXCSSA-N
• XLogP: 8.08
• TPSA: 289.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1386.12
LogP ≤ 5	8.08
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-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-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;5-iodo-1-methylindazole;methanamine?

The IUPAC name of (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-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;5-iodo-1-methylindazole;methanamine (CID 158576079) is (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-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;5-iodo-1-methylindazole;methanamine.

What is the SMILES notation for (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-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;5-iodo-1-methylindazole;methanamine?

The canonical SMILES for (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-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;5-iodo-1-methylindazole;methanamine is CC(F)(F)C(=O)O.CN.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(C2[C@@H](NC(=O)C(C)(F)F)CC(=O)N2c2ccc3c(cnn3C)c2)c1.Cn1ncc2cc(I)ccc21.

What is the InChIKey of (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-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;5-iodo-1-methylindazole;methanamine?

The InChIKey is HSRDFRAFYHMBRZ-MPLTTXCSSA-N. The full InChI is InChI=1S/C22H21F3N4O3.C14H15F3N2O3.C11H13FN2O2.C8H7IN2.C3H4F2O2.CH5N/c1-22(24,25)21(31)27-17-10-19(30)29(13-4-7-18-12(8-13)11-26-28(18)2)20(17)15-9-14(32-3)5-6-16(15)23;1-14(16,17)13(21)18-10-6-11(20)19-12(10)8-5-7(22-2)3-4-9(8)15;1-16-6-2-3-8(12)7(4-6)11-9(13)5-10(15)14-11;1-11-8-3-2-7(9)4-6(8)5-10-11;1-3(4,5)2(6)7;1-2/h4-9,11,17,20H,10H2,1-3H3,(H,27,31);3-5,10,12H,6H2,1-2H3,(H,18,21)(H,19,20);2-4,9,11H,5,13H2,1H3,(H,14,15);2-5H,1H3;1H3,(H,6,7);2H2,1H3/t17-,20?;10-,12?;9-,11?;;;/m000.../s1.

What are the key properties of (4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-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;5-iodo-1-methylindazole;methanamine?

(4S)-4-amino-5-(2-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-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;5-iodo-1-methylindazole;methanamine has a molecular weight of 1386.12 g/mol, XLogP of 8.08, 12 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-fluoro-5-methoxyphenyl)pyrrolidin-2-one;2,2-difluoro-N-[(3S)-2-(2-fluoro-5-methoxyphenyl)-1-(1-methylindazol-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;5-iodo-1-methylindazole;methanamine is sourced from PubChem (CID 158576079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).