(2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one

C22H23BrN2O5 — CID 58365530

IUPAC(2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCOCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C22H23BrN2O5/c1-13(2)19(26)17-18(16-5-4-10-24-21(16)30-12-11-29-3)25(22(28)20(17)27)15-8-6-14(23)7-9-15/h4-10,13,18,27H,11-12H2,1-3H3/t18-/m1/s1
InChIKeyUBQZTPIAOAKMHU-GOSISDBHSA-N
MW475.34 g/mol
LogP3.99
Rot. Bonds8

About (2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one

(2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one (PubChem CID 58365530) has the molecular formula C22H23BrN2O5 and a molecular weight of 475.34 g/mol. Its IUPAC name is (2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one
PubChem CID58365530
Molecular FormulaC22H23BrN2O5
Molecular Weight475.34 g/mol
Exact Mass474.08
IUPAC Name(2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one
SMILESCOCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C22H23BrN2O5/c1-13(2)19(26)17-18(16-5-4-10-24-21(16)30-12-11-29-3)25(22(28)20(17)27)15-8-6-14(23)7-9-15/h4-10,13,18,27H,11-12H2,1-3H3/t18-/m1/s1
InChIKeyUBQZTPIAOAKMHU-GOSISDBHSA-N
XLogP3.99
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one (CID 58365530) is (2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one is COCCOc1ncccc1[C@@H]1C(C(=O)C(C)C)=C(O)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of (2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
The InChIKey is UBQZTPIAOAKMHU-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23BrN2O5/c1-13(2)19(26)17-18(16-5-4-10-24-21(16)30-12-11-29-3)25(22(28)20(17)27)15-8-6-14(23)7-9-15/h4-10,13,18,27H,11-12H2,1-3H3/t18-/m1/s1.
What are the key properties of (2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one?
(2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one has a molecular weight of 475.34 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromophenyl)-4-hydroxy-2-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one is sourced from PubChem (CID 58365530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).