2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-(oxan-2-yl)indazole;methanamine

C58H62F4IN11O6 — CID 159080120

About 2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-(oxan-2-yl)indazole;methanamine

2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-(oxan-2-yl)indazole;methanamine (PubChem CID 159080120) has the molecular formula C58H62F4IN11O6 and a molecular weight of 1212.10 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-(oxan-2-yl)indazole;methanamine.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-(oxan-2-yl)indazole;methanamine
• PubChem CID: 159080120
• Molecular Formula: C58H62F4IN11O6
• Molecular Weight: 1212.10 g/mol
• Exact Mass: 1211.39
• IUPAC Name: 2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-(oxan-2-yl)indazole;methanamine
• SMILES: CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3[nH]ncc3c2)[C@@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3C3CCCCO3)c2)[C@@H]1c1ccccc1.CN.Ic1ccc2c(cnn2C2CCCCO2)c1
• InChI: InChI=1S/C25H26F2N4O3.C20H18F2N4O2.C12H13IN2O.CH5N/c1-25(26,27)24(33)29-19-14-21(32)30(23(19)16-7-3-2-4-8-16)18-10-11-20-17(13-18)15-28-31(20)22-9-5-6-12-34-22;1-20(21,22)19(28)24-16-10-17(27)26(18(16)12-5-3-2-4-6-12)14-7-8-15-13(9-14)11-23-25-15;13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12;1-2/h2-4,7-8,10-11,13,15,19,22-23H,5-6,9,12,14H2,1H3,(H,29,33);2-9,11,16,18H,10H2,1H3,(H,23,25)(H,24,28);4-5,7-8,12H,1-3,6H2;2H2,1H3/t19-,22?,23+;16-,18+;;/m00../s1
• InChIKey: KATFKADHPXCERS-YPICEQSXSA-N
• XLogP: 10.45
• TPSA: 207.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1212.10
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-(oxan-2-yl)indazole;methanamine?

The IUPAC name of 2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-(oxan-2-yl)indazole;methanamine (CID 159080120) is 2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-(oxan-2-yl)indazole;methanamine.

What is the SMILES notation for 2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-(oxan-2-yl)indazole;methanamine?

The canonical SMILES for 2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-(oxan-2-yl)indazole;methanamine is CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3[nH]ncc3c2)[C@@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3C3CCCCO3)c2)[C@@H]1c1ccccc1.CN.Ic1ccc2c(cnn2C2CCCCO2)c1.

What is the InChIKey of 2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-(oxan-2-yl)indazole;methanamine?

The InChIKey is KATFKADHPXCERS-YPICEQSXSA-N. The full InChI is InChI=1S/C25H26F2N4O3.C20H18F2N4O2.C12H13IN2O.CH5N/c1-25(26,27)24(33)29-19-14-21(32)30(23(19)16-7-3-2-4-8-16)18-10-11-20-17(13-18)15-28-31(20)22-9-5-6-12-34-22;1-20(21,22)19(28)24-16-10-17(27)26(18(16)12-5-3-2-4-6-12)14-7-8-15-13(9-14)11-23-25-15;13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12;1-2/h2-4,7-8,10-11,13,15,19,22-23H,5-6,9,12,14H2,1H3,(H,29,33);2-9,11,16,18H,10H2,1H3,(H,23,25)(H,24,28);4-5,7-8,12H,1-3,6H2;2H2,1H3/t19-,22?,23+;16-,18+;;/m00../s1.

What are the key properties of 2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-(oxan-2-yl)indazole;methanamine?

2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-(oxan-2-yl)indazole;methanamine has a molecular weight of 1212.10 g/mol, XLogP of 10.45, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[(2R,3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-1-[1-(oxan-2-yl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;5-iodo-1-(oxan-2-yl)indazole;methanamine is sourced from PubChem (CID 159080120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).