4-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(2-methyl-4-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine

C53H52BrF4N11O4 — CID 161259294

About 4-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(2-methyl-4-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine

4-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(2-methyl-4-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine (PubChem CID 161259294) has the molecular formula C53H52BrF4N11O4 and a molecular weight of 1062.97 g/mol. Its IUPAC name is 4-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(2-methyl-4-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine.

Molecular Properties

• Compound Name: 4-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(2-methyl-4-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
• PubChem CID: 161259294
• Molecular Formula: C53H52BrF4N11O4
• Molecular Weight: 1062.97 g/mol
• Exact Mass: 1061.33
• IUPAC Name: 4-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(2-methyl-4-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
• SMILES: CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3[nH]ncc3c2)C1c1ccccc1.CN.Cc1cc(-n2ncc3cc(N4C(=O)C[C@H](NC(=O)C(C)(F)F)C4c4ccccc4)ccc32)ccn1.Cc1cc(Br)ccn1
• InChI: InChI=1S/C26H23F2N5O2.C20H18F2N4O2.C6H6BrN.CH5N/c1-16-12-20(10-11-29-16)33-22-9-8-19(13-18(22)15-30-33)32-23(34)14-21(31-25(35)26(2,27)28)24(32)17-6-4-3-5-7-17;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;1-5-4-6(7)2-3-8-5;1-2/h3-13,15,21,24H,14H2,1-2H3,(H,31,35);2-9,11,16,18H,10H2,1H3,(H,23,25)(H,24,28);2-4H,1H3;2H2,1H3/t21-,24?;16-,18?;;/m00../s1
• InChIKey: VCINOMSORMDDEJ-FLUVBXEXSA-N
• XLogP: 9.26
• TPSA: 197.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1062.97
LogP ≤ 5	9.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(2-methyl-4-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?

The IUPAC name of 4-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(2-methyl-4-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine (CID 161259294) is 4-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(2-methyl-4-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine.

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

The canonical SMILES for 4-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(2-methyl-4-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine is CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3[nH]ncc3c2)C1c1ccccc1.CN.Cc1cc(-n2ncc3cc(N4C(=O)C[C@H](NC(=O)C(C)(F)F)C4c4ccccc4)ccc32)ccn1.Cc1cc(Br)ccn1.

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

The InChIKey is VCINOMSORMDDEJ-FLUVBXEXSA-N. The full InChI is InChI=1S/C26H23F2N5O2.C20H18F2N4O2.C6H6BrN.CH5N/c1-16-12-20(10-11-29-16)33-22-9-8-19(13-18(22)15-30-33)32-23(34)14-21(31-25(35)26(2,27)28)24(32)17-6-4-3-5-7-17;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;1-5-4-6(7)2-3-8-5;1-2/h3-13,15,21,24H,14H2,1-2H3,(H,31,35);2-9,11,16,18H,10H2,1H3,(H,23,25)(H,24,28);2-4H,1H3;2H2,1H3/t21-,24?;16-,18?;;/m00../s1.

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

4-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(2-methyl-4-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine has a molecular weight of 1062.97 g/mol, XLogP of 9.26, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-methylpyridine;2,2-difluoro-N-[(3S)-1-(1H-indazol-5-yl)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-1-[1-(2-methyl-4-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine is sourced from PubChem (CID 161259294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).