N-[[[1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-7-methyl-3-bicyclo[3.3.1]nonanyl]amino]methyl]acetamide

C25H33FN4O2 — CID 134204329

About N-[[[1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-7-methyl-3-bicyclo[3.3.1]nonanyl]amino]methyl]acetamide

N-[[[1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-7-methyl-3-bicyclo[3.3.1]nonanyl]amino]methyl]acetamide (PubChem CID 134204329) has the molecular formula C25H33FN4O2 and a molecular weight of 440.56 g/mol. Its IUPAC name is N-[[[1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-7-methyl-3-bicyclo[3.3.1]nonanyl]amino]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[[1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-7-methyl-3-bicyclo[3.3.1]nonanyl]amino]methyl]acetamide
• PubChem CID: 134204329
• Molecular Formula: C25H33FN4O2
• Molecular Weight: 440.56 g/mol
• Exact Mass: 440.26
• IUPAC Name: N-[[[1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-7-methyl-3-bicyclo[3.3.1]nonanyl]amino]methyl]acetamide
• SMILES: CC(=O)NCNC1CC2CC(C)CC(C(O)CC3c4c(F)cccc4-c4cncn43)(C2)C1
• InChI: InChI=1S/C25H33FN4O2/c1-15-6-17-7-18(29-13-28-16(2)31)11-25(9-15,10-17)23(32)8-21-24-19(4-3-5-20(24)26)22-12-27-14-30(21)22/h3-5,12,14-15,17-18,21,23,29,32H,6-11,13H2,1-2H3,(H,28,31)
• InChIKey: UZGINSMBKZFHIB-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 79.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.56
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[[1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-7-methyl-3-bicyclo[3.3.1]nonanyl]amino]methyl]acetamide?

The IUPAC name of N-[[[1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-7-methyl-3-bicyclo[3.3.1]nonanyl]amino]methyl]acetamide (CID 134204329) is N-[[[1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-7-methyl-3-bicyclo[3.3.1]nonanyl]amino]methyl]acetamide.

What is the SMILES notation for N-[[[1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-7-methyl-3-bicyclo[3.3.1]nonanyl]amino]methyl]acetamide?

The canonical SMILES for N-[[[1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-7-methyl-3-bicyclo[3.3.1]nonanyl]amino]methyl]acetamide is CC(=O)NCNC1CC2CC(C)CC(C(O)CC3c4c(F)cccc4-c4cncn43)(C2)C1.

What is the InChIKey of N-[[[1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-7-methyl-3-bicyclo[3.3.1]nonanyl]amino]methyl]acetamide?

The InChIKey is UZGINSMBKZFHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O2/c1-15-6-17-7-18(29-13-28-16(2)31)11-25(9-15,10-17)23(32)8-21-24-19(4-3-5-20(24)26)22-12-27-14-30(21)22/h3-5,12,14-15,17-18,21,23,29,32H,6-11,13H2,1-2H3,(H,28,31).

What are the key properties of N-[[[1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-7-methyl-3-bicyclo[3.3.1]nonanyl]amino]methyl]acetamide?

N-[[[1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-7-methyl-3-bicyclo[3.3.1]nonanyl]amino]methyl]acetamide has a molecular weight of 440.56 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[[1-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-hydroxyethyl]-7-methyl-3-bicyclo[3.3.1]nonanyl]amino]methyl]acetamide is sourced from PubChem (CID 134204329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).