5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one

C26H25BrN2O3 — CID 3778203

About 5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one

5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one (PubChem CID 3778203) has the molecular formula C26H25BrN2O3 and a molecular weight of 493.40 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one.

Molecular Properties

• Compound Name: 5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
• PubChem CID: 3778203
• Molecular Formula: C26H25BrN2O3
• Molecular Weight: 493.40 g/mol
• Exact Mass: 492.10
• IUPAC Name: 5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
• SMILES: Cc1ccc(C(C)C)cc1CN1C(=O)C(O)(CC(=O)c2cccnc2)c2cc(Br)ccc21
• InChI: InChI=1S/C26H25BrN2O3/c1-16(2)18-7-6-17(3)20(11-18)15-29-23-9-8-21(27)12-22(23)26(32,25(29)31)13-24(30)19-5-4-10-28-14-19/h4-12,14,16,32H,13,15H2,1-3H3
• InChIKey: GRWDVTDLXRNPGV-UHFFFAOYSA-N
• XLogP: 5.28
• TPSA: 70.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.40
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?

The IUPAC name of 5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one (CID 3778203) is 5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one.

What is the SMILES notation for 5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?

The canonical SMILES for 5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one is Cc1ccc(C(C)C)cc1CN1C(=O)C(O)(CC(=O)c2cccnc2)c2cc(Br)ccc21.

What is the InChIKey of 5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?

The InChIKey is GRWDVTDLXRNPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrN2O3/c1-16(2)18-7-6-17(3)20(11-18)15-29-23-9-8-21(27)12-22(23)26(32,25(29)31)13-24(30)19-5-4-10-28-14-19/h4-12,14,16,32H,13,15H2,1-3H3.

What are the key properties of 5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?

5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one has a molecular weight of 493.40 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-hydroxy-1-[(2-methyl-5-propan-2-ylphenyl)methyl]-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one is sourced from PubChem (CID 3778203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).