5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine

C51H46BrF6N11O4 — CID 165038880

About 5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine

5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine (PubChem CID 165038880) has the molecular formula C51H46BrF6N11O4 and a molecular weight of 1070.89 g/mol. Its IUPAC name is 5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine.

Molecular Properties

• Compound Name: 5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
• PubChem CID: 165038880
• Molecular Formula: C51H46BrF6N11O4
• Molecular Weight: 1070.89 g/mol
• Exact Mass: 1069.28
• IUPAC Name: 5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
• SMILES: CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2cc3cnn(-c4ccc(F)cc4)c3cn2)[C@@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N[C@@H]1c1ccccc1.CN.Fc1ccc(-n2ncc3cc(Br)ncc32)cc1
• InChI: InChI=1S/C25H20F3N5O2.C13H14F2N2O2.C12H7BrFN3.CH5N/c1-25(27,28)24(35)31-19-12-22(34)32(23(19)15-5-3-2-4-6-15)21-11-16-13-30-33(20(16)14-29-21)18-9-7-17(26)8-10-18;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;13-12-5-8-6-16-17(11(8)7-15-12)10-3-1-9(14)2-4-10;1-2/h2-11,13-14,19,23H,12H2,1H3,(H,31,35);2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);1-7H;2H2,1H3/t19-,23+;9-,11+;;/m00../s1
• InChIKey: NUSIBXHZBHNVND-QDOOBBKRSA-N
• XLogP: 8.46
• TPSA: 195.05 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1070.89
LogP ≤ 5	8.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?

The IUPAC name of 5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine (CID 165038880) is 5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine.

What is the SMILES notation for 5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?

The canonical SMILES for 5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine is CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2cc3cnn(-c4ccc(F)cc4)c3cn2)[C@@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N[C@@H]1c1ccccc1.CN.Fc1ccc(-n2ncc3cc(Br)ncc32)cc1.

What is the InChIKey of 5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?

The InChIKey is NUSIBXHZBHNVND-QDOOBBKRSA-N. The full InChI is InChI=1S/C25H20F3N5O2.C13H14F2N2O2.C12H7BrFN3.CH5N/c1-25(27,28)24(35)31-19-12-22(34)32(23(19)15-5-3-2-4-6-15)21-11-16-13-30-33(20(16)14-29-21)18-9-7-17(26)8-10-18;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;13-12-5-8-6-16-17(11(8)7-15-12)10-3-1-9(14)2-4-10;1-2/h2-11,13-14,19,23H,12H2,1H3,(H,31,35);2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);1-7H;2H2,1H3/t19-,23+;9-,11+;;/m00../s1.

What are the key properties of 5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?

5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine has a molecular weight of 1070.89 g/mol, XLogP of 8.46, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-(4-fluorophenyl)pyrazolo[3,4-c]pyridine;2,2-difluoro-N-[(2R,3S)-1-[1-(4-fluorophenyl)pyrazolo[3,4-c]pyridin-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine is sourced from PubChem (CID 165038880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).