(4S)-4-amino-5-phenylpyrrolidin-2-one;cyclopropanecarboxylic acid;5-iodo-1-[(2-methoxy-4-pyridinyl)methyl]indazole;methanamine;N-[(3S)-1-[1-[(2-methoxy-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide

C71H78IN13O9 — CID 159606458

About (4S)-4-amino-5-phenylpyrrolidin-2-one;cyclopropanecarboxylic acid;5-iodo-1-[(2-methoxy-4-pyridinyl)methyl]indazole;methanamine;N-[(3S)-1-[1-[(2-methoxy-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide

(4S)-4-amino-5-phenylpyrrolidin-2-one;cyclopropanecarboxylic acid;5-iodo-1-[(2-methoxy-4-pyridinyl)methyl]indazole;methanamine;N-[(3S)-1-[1-[(2-methoxy-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 159606458) has the molecular formula C71H78IN13O9 and a molecular weight of 1384.39 g/mol. Its IUPAC name is (4S)-4-amino-5-phenylpyrrolidin-2-one;cyclopropanecarboxylic acid;5-iodo-1-[(2-methoxy-4-pyridinyl)methyl]indazole;methanamine;N-[(3S)-1-[1-[(2-methoxy-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: (4S)-4-amino-5-phenylpyrrolidin-2-one;cyclopropanecarboxylic acid;5-iodo-1-[(2-methoxy-4-pyridinyl)methyl]indazole;methanamine;N-[(3S)-1-[1-[(2-methoxy-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
• PubChem CID: 159606458
• Molecular Formula: C71H78IN13O9
• Molecular Weight: 1384.39 g/mol
• Exact Mass: 1383.51
• IUPAC Name: (4S)-4-amino-5-phenylpyrrolidin-2-one;cyclopropanecarboxylic acid;5-iodo-1-[(2-methoxy-4-pyridinyl)methyl]indazole;methanamine;N-[(3S)-1-[1-[(2-methoxy-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
• SMILES: CN.COc1cc(Cn2ncc3cc(I)ccc32)ccn1.COc1cc(Cn2ncc3cc(N4C(=O)C[C@H](NC(=O)C5CC5)C4c4ccccc4)ccc32)ccn1.N[C@H]1CC(=O)NC1c1ccccc1.O=C(O)C1CC1.O=C1C[C@H](NC(=O)C2CC2)C(c2ccccc2)N1
• InChI: InChI=1S/C28H27N5O3.C14H12IN3O.C14H16N2O2.C10H12N2O.C4H6O2.CH5N/c1-36-25-13-18(11-12-29-25)17-32-24-10-9-22(14-21(24)16-30-32)33-26(34)15-23(31-28(35)20-7-8-20)27(33)19-5-3-2-4-6-19;1-19-14-6-10(4-5-16-14)9-18-13-3-2-12(15)7-11(13)8-17-18;17-12-8-11(15-14(18)10-6-7-10)13(16-12)9-4-2-1-3-5-9;11-8-6-9(13)12-10(8)7-4-2-1-3-5-7;5-4(6)3-1-2-3;1-2/h2-6,9-14,16,20,23,27H,7-8,15,17H2,1H3,(H,31,35);2-8H,9H2,1H3;1-5,10-11,13H,6-8H2,(H,15,18)(H,16,17);1-5,8,10H,6,11H2,(H,12,13);3H,1-2H2,(H,5,6);2H2,1H3/t23-,27?;;11-,13?;8-,10?;;/m0.00../s1
• InChIKey: MMDJUVORSDRNPK-LYXXLZMLSA-N
• XLogP: 8.73
• TPSA: 305.93 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1384.39
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-phenylpyrrolidin-2-one;cyclopropanecarboxylic acid;5-iodo-1-[(2-methoxy-4-pyridinyl)methyl]indazole;methanamine;N-[(3S)-1-[1-[(2-methoxy-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?

The IUPAC name of (4S)-4-amino-5-phenylpyrrolidin-2-one;cyclopropanecarboxylic acid;5-iodo-1-[(2-methoxy-4-pyridinyl)methyl]indazole;methanamine;N-[(3S)-1-[1-[(2-methoxy-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (CID 159606458) is (4S)-4-amino-5-phenylpyrrolidin-2-one;cyclopropanecarboxylic acid;5-iodo-1-[(2-methoxy-4-pyridinyl)methyl]indazole;methanamine;N-[(3S)-1-[1-[(2-methoxy-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for (4S)-4-amino-5-phenylpyrrolidin-2-one;cyclopropanecarboxylic acid;5-iodo-1-[(2-methoxy-4-pyridinyl)methyl]indazole;methanamine;N-[(3S)-1-[1-[(2-methoxy-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for (4S)-4-amino-5-phenylpyrrolidin-2-one;cyclopropanecarboxylic acid;5-iodo-1-[(2-methoxy-4-pyridinyl)methyl]indazole;methanamine;N-[(3S)-1-[1-[(2-methoxy-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is CN.COc1cc(Cn2ncc3cc(I)ccc32)ccn1.COc1cc(Cn2ncc3cc(N4C(=O)C[C@H](NC(=O)C5CC5)C4c4ccccc4)ccc32)ccn1.N[C@H]1CC(=O)NC1c1ccccc1.O=C(O)C1CC1.O=C1C[C@H](NC(=O)C2CC2)C(c2ccccc2)N1.

What is the InChIKey of (4S)-4-amino-5-phenylpyrrolidin-2-one;cyclopropanecarboxylic acid;5-iodo-1-[(2-methoxy-4-pyridinyl)methyl]indazole;methanamine;N-[(3S)-1-[1-[(2-methoxy-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?

The InChIKey is MMDJUVORSDRNPK-LYXXLZMLSA-N. The full InChI is InChI=1S/C28H27N5O3.C14H12IN3O.C14H16N2O2.C10H12N2O.C4H6O2.CH5N/c1-36-25-13-18(11-12-29-25)17-32-24-10-9-22(14-21(24)16-30-32)33-26(34)15-23(31-28(35)20-7-8-20)27(33)19-5-3-2-4-6-19;1-19-14-6-10(4-5-16-14)9-18-13-3-2-12(15)7-11(13)8-17-18;17-12-8-11(15-14(18)10-6-7-10)13(16-12)9-4-2-1-3-5-9;11-8-6-9(13)12-10(8)7-4-2-1-3-5-7;5-4(6)3-1-2-3;1-2/h2-6,9-14,16,20,23,27H,7-8,15,17H2,1H3,(H,31,35);2-8H,9H2,1H3;1-5,10-11,13H,6-8H2,(H,15,18)(H,16,17);1-5,8,10H,6,11H2,(H,12,13);3H,1-2H2,(H,5,6);2H2,1H3/t23-,27?;;11-,13?;8-,10?;;/m0.00../s1.

What are the key properties of (4S)-4-amino-5-phenylpyrrolidin-2-one;cyclopropanecarboxylic acid;5-iodo-1-[(2-methoxy-4-pyridinyl)methyl]indazole;methanamine;N-[(3S)-1-[1-[(2-methoxy-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?

(4S)-4-amino-5-phenylpyrrolidin-2-one;cyclopropanecarboxylic acid;5-iodo-1-[(2-methoxy-4-pyridinyl)methyl]indazole;methanamine;N-[(3S)-1-[1-[(2-methoxy-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 1384.39 g/mol, XLogP of 8.73, 15 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-amino-5-phenylpyrrolidin-2-one;cyclopropanecarboxylic acid;5-iodo-1-[(2-methoxy-4-pyridinyl)methyl]indazole;methanamine;N-[(3S)-1-[1-[(2-methoxy-4-pyridinyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide;N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 159606458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).