5-amino-4-[7-fluoro-6-[4-(hydroxymethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid

C19H18FN3O5 — CID 175258296

About 5-amino-4-[7-fluoro-6-[4-(hydroxymethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid

5-amino-4-[7-fluoro-6-[4-(hydroxymethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid (PubChem CID 175258296) has the molecular formula C19H18FN3O5 and a molecular weight of 387.37 g/mol. Its IUPAC name is 5-amino-4-[7-fluoro-6-[4-(hydroxymethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-amino-4-[7-fluoro-6-[4-(hydroxymethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid
• PubChem CID: 175258296
• Molecular Formula: C19H18FN3O5
• Molecular Weight: 387.37 g/mol
• Exact Mass: 387.12
• IUPAC Name: 5-amino-4-[7-fluoro-6-[4-(hydroxymethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid
• SMILES: NC(=O)C(CCC(=O)O)N1Cc2c(ccc(-c3cc(CO)ccn3)c2F)C1=O
• InChI: InChI=1S/C19H18FN3O5/c20-17-12(14-7-10(9-24)5-6-22-14)2-1-11-13(17)8-23(19(11)28)15(18(21)27)3-4-16(25)26/h1-2,5-7,15,24H,3-4,8-9H2,(H2,21,27)(H,25,26)
• InChIKey: SZFKFXCADCYCRX-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 133.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.37
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[7-fluoro-6-[4-(hydroxymethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid?

The IUPAC name of 5-amino-4-[7-fluoro-6-[4-(hydroxymethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid (CID 175258296) is 5-amino-4-[7-fluoro-6-[4-(hydroxymethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid.

What is the SMILES notation for 5-amino-4-[7-fluoro-6-[4-(hydroxymethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid?

The canonical SMILES for 5-amino-4-[7-fluoro-6-[4-(hydroxymethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid is NC(=O)C(CCC(=O)O)N1Cc2c(ccc(-c3cc(CO)ccn3)c2F)C1=O.

What is the InChIKey of 5-amino-4-[7-fluoro-6-[4-(hydroxymethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid?

The InChIKey is SZFKFXCADCYCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O5/c20-17-12(14-7-10(9-24)5-6-22-14)2-1-11-13(17)8-23(19(11)28)15(18(21)27)3-4-16(25)26/h1-2,5-7,15,24H,3-4,8-9H2,(H2,21,27)(H,25,26).

What are the key properties of 5-amino-4-[7-fluoro-6-[4-(hydroxymethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid?

5-amino-4-[7-fluoro-6-[4-(hydroxymethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid has a molecular weight of 387.37 g/mol, XLogP of 1.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-4-[7-fluoro-6-[4-(hydroxymethyl)-2-pyridinyl]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoic acid is sourced from PubChem (CID 175258296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).