4-[(1R)-1-[2-(4-fluorophenyl)-7,9-dimethyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

C28H32FN7O2 — CID 58352900

About 4-[(1R)-1-[2-(4-fluorophenyl)-7,9-dimethyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide

4-[(1R)-1-[2-(4-fluorophenyl)-7,9-dimethyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide (PubChem CID 58352900) has the molecular formula C28H32FN7O2 and a molecular weight of 517.61 g/mol. Its IUPAC name is 4-[(1R)-1-[2-(4-fluorophenyl)-7,9-dimethyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 4-[(1R)-1-[2-(4-fluorophenyl)-7,9-dimethyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
• PubChem CID: 58352900
• Molecular Formula: C28H32FN7O2
• Molecular Weight: 517.61 g/mol
• Exact Mass: 517.26
• IUPAC Name: 4-[(1R)-1-[2-(4-fluorophenyl)-7,9-dimethyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
• SMILES: CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)cc2)=NC12CC(C)CC(C)C2
• InChI: InChI=1S/C28H32FN7O2/c1-4-23(19-5-7-21(8-6-19)26(37)30-16-24-32-34-35-33-24)36-27(38)25(20-9-11-22(29)12-10-20)31-28(36)14-17(2)13-18(3)15-28/h5-12,17-18,23H,4,13-16H2,1-3H3,(H,30,37)(H,32,33,34,35)/t17?,18?,23-,28?/m1/s1
• InChIKey: IEVUQQWCAIXULE-XFYIKVQVSA-N
• XLogP: 4.20
• TPSA: 116.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.61
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[2-(4-fluorophenyl)-7,9-dimethyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?

The IUPAC name of 4-[(1R)-1-[2-(4-fluorophenyl)-7,9-dimethyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide (CID 58352900) is 4-[(1R)-1-[2-(4-fluorophenyl)-7,9-dimethyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide.

What is the SMILES notation for 4-[(1R)-1-[2-(4-fluorophenyl)-7,9-dimethyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?

The canonical SMILES for 4-[(1R)-1-[2-(4-fluorophenyl)-7,9-dimethyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide is CC[C@H](c1ccc(C(=O)NCc2nn[nH]n2)cc1)N1C(=O)C(c2ccc(F)cc2)=NC12CC(C)CC(C)C2.

What is the InChIKey of 4-[(1R)-1-[2-(4-fluorophenyl)-7,9-dimethyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?

The InChIKey is IEVUQQWCAIXULE-XFYIKVQVSA-N. The full InChI is InChI=1S/C28H32FN7O2/c1-4-23(19-5-7-21(8-6-19)26(37)30-16-24-32-34-35-33-24)36-27(38)25(20-9-11-22(29)12-10-20)31-28(36)14-17(2)13-18(3)15-28/h5-12,17-18,23H,4,13-16H2,1-3H3,(H,30,37)(H,32,33,34,35)/t17?,18?,23-,28?/m1/s1.

What are the key properties of 4-[(1R)-1-[2-(4-fluorophenyl)-7,9-dimethyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide?

4-[(1R)-1-[2-(4-fluorophenyl)-7,9-dimethyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 517.61 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1R)-1-[2-(4-fluorophenyl)-7,9-dimethyl-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 58352900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).