[2-[1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2-oxoethoxy]-hydroxy-oxophosphanium

C26H23BrFN7O6P+ — CID 174215843

About [2-[1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2-oxoethoxy]-hydroxy-oxophosphanium

[2-[1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2-oxoethoxy]-hydroxy-oxophosphanium (PubChem CID 174215843) has the molecular formula C26H23BrFN7O6P+ and a molecular weight of 659.39 g/mol. Its IUPAC name is [2-[1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2-oxoethoxy]-hydroxy-oxophosphanium.

Molecular Properties

• Compound Name: [2-[1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2-oxoethoxy]-hydroxy-oxophosphanium
• PubChem CID: 174215843
• Molecular Formula: C26H23BrFN7O6P+
• Molecular Weight: 659.39 g/mol
• Exact Mass: 658.06
• IUPAC Name: [2-[1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2-oxoethoxy]-hydroxy-oxophosphanium
• SMILES: Cc1ncc(-c2ccc3c(c2)c(C(=O)CO[P+](=O)O)nn3CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)cn1
• InChI: InChI=1S/C26H22BrFN7O6P/c1-14-29-9-16(10-30-14)15-5-6-19-18(7-15)25(21(36)13-41-42(39)40)33-35(19)12-24(37)34-11-17(28)8-20(34)26(38)32-23-4-2-3-22(27)31-23/h2-7,9-10,17,20H,8,11-13H2,1H3,(H-,31,32,38,39,40)/p+1/t17-,20+/m1/s1
• InChIKey: GFUSHMLUENIIAQ-XLIONFOSSA-O
• XLogP: 3.39
• TPSA: 169.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	659.39
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2-oxoethoxy]-hydroxy-oxophosphanium?

The IUPAC name of [2-[1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2-oxoethoxy]-hydroxy-oxophosphanium (CID 174215843) is [2-[1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2-oxoethoxy]-hydroxy-oxophosphanium.

What is the SMILES notation for [2-[1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2-oxoethoxy]-hydroxy-oxophosphanium?

The canonical SMILES for [2-[1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2-oxoethoxy]-hydroxy-oxophosphanium is Cc1ncc(-c2ccc3c(c2)c(C(=O)CO[P+](=O)O)nn3CC(=O)N2C[C@H](F)C[C@H]2C(=O)Nc2cccc(Br)n2)cn1.

What is the InChIKey of [2-[1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2-oxoethoxy]-hydroxy-oxophosphanium?

The InChIKey is GFUSHMLUENIIAQ-XLIONFOSSA-O. The full InChI is InChI=1S/C26H22BrFN7O6P/c1-14-29-9-16(10-30-14)15-5-6-19-18(7-15)25(21(36)13-41-42(39)40)33-35(19)12-24(37)34-11-17(28)8-20(34)26(38)32-23-4-2-3-22(27)31-23/h2-7,9-10,17,20H,8,11-13H2,1H3,(H-,31,32,38,39,40)/p+1/t17-,20+/m1/s1.

What are the key properties of [2-[1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2-oxoethoxy]-hydroxy-oxophosphanium?

[2-[1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2-oxoethoxy]-hydroxy-oxophosphanium has a molecular weight of 659.39 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]-2-oxoethoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 174215843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).