2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide

C23H23FN4O2 — CID 25364133

About 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide

2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide (PubChem CID 25364133) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide
• PubChem CID: 25364133
• Molecular Formula: C23H23FN4O2
• Molecular Weight: 406.46 g/mol
• Exact Mass: 406.18
• IUPAC Name: 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide
• SMILES: Cc1c(CC(=O)NCc2ccncn2)c2c(n1Cc1ccccc1F)CCCC2=O
• InChI: InChI=1S/C23H23FN4O2/c1-15-18(11-22(30)26-12-17-9-10-25-14-27-17)23-20(7-4-8-21(23)29)28(15)13-16-5-2-3-6-19(16)24/h2-3,5-6,9-10,14H,4,7-8,11-13H2,1H3,(H,26,30)
• InChIKey: DHRDAJDPWWUONI-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.46
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide?

The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide (CID 25364133) is 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide.

What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide?

The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide is Cc1c(CC(=O)NCc2ccncn2)c2c(n1Cc1ccccc1F)CCCC2=O.

What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide?

The InChIKey is DHRDAJDPWWUONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-15-18(11-22(30)26-12-17-9-10-25-14-27-17)23-20(7-4-8-21(23)29)28(15)13-16-5-2-3-6-19(16)24/h2-3,5-6,9-10,14H,4,7-8,11-13H2,1H3,(H,26,30).

What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide?

2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide has a molecular weight of 406.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N-(pyrimidin-4-ylmethyl)acetamide is sourced from PubChem (CID 25364133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).