2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine

C₅₅H₅₂F₆IN₉O₄ — CID 158350406

About 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine

2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine (PubChem CID 158350406) has the molecular formula C₅₅H₅₂F₆IN₉O₄ and a molecular weight of 1143.97 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine.

Molecular Properties

• Compound Name: 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine
• PubChem CID: 158350406
• Molecular Formula: C₅₅H₅₂F₆IN₉O₄
• Molecular Weight: 1143.97 g/mol
• Exact Mass: 1143.31
• IUPAC Name: 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine
• SMILES: CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3Cc3ccc(F)cc3)c2)[C@@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)NC1c1ccccc1.CN.Fc1ccc(Cn2ncc3cc(I)ccc32)cc1
• InChI: InChI=1S/C27H23F3N4O2.C14H10FIN2.C13H14F2N2O2.CH5N/c1-27(29,30)26(36)32-22-14-24(35)34(25(22)18-5-3-2-4-6-18)21-11-12-23-19(13-21)15-31-33(23)16-17-7-9-20(28)10-8-17;15-12-3-1-10(2-4-12)9-18-14-6-5-13(16)7-11(14)8-17-18;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;1-2/h2-13,15,22,25H,14,16H2,1H3,(H,32,36);1-8H,9H2;2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);2H2,1H3/t22-,25+;;9-,11?;/m0.0./s1
• InChIKey: GSFZPYHRKLOTLH-HPPLSGEUSA-N
• XLogP: 9.63
• TPSA: 169.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1143.97
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

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-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine?

The IUPAC name of 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine (CID 158350406) is 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine.

What is the SMILES notation for 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine?

The canonical SMILES for 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine is CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3Cc3ccc(F)cc3)c2)[C@@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)NC1c1ccccc1.CN.Fc1ccc(Cn2ncc3cc(I)ccc32)cc1.

What is the InChIKey of 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine?

The InChIKey is GSFZPYHRKLOTLH-HPPLSGEUSA-N. The full InChI is InChI=1S/C27H23F3N4O2.C14H10FIN2.C13H14F2N2O2.CH5N/c1-27(29,30)26(36)32-22-14-24(35)34(25(22)18-5-3-2-4-6-18)21-11-12-23-19(13-21)15-31-33(23)16-17-7-9-20(28)10-8-17;15-12-3-1-10(2-4-12)9-18-14-6-5-13(16)7-11(14)8-17-18;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;1-2/h2-13,15,22,25H,14,16H2,1H3,(H,32,36);1-8H,9H2;2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);2H2,1H3/t22-,25+;;9-,11?;/m0.0./s1.

What are the key properties of 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine?

2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine has a molecular weight of 1143.97 g/mol, XLogP of 9.63, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine is sourced from PubChem (CID 158350406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158350406 — identifiers, structure, computed properties (public domain)

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