6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride

C19H22ClFN4O3 — CID 67762419

About 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride

6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride (PubChem CID 67762419) has the molecular formula C19H22ClFN4O3 and a molecular weight of 408.86 g/mol. Its IUPAC name is 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride
• PubChem CID: 67762419
• Molecular Formula: C19H22ClFN4O3
• Molecular Weight: 408.86 g/mol
• Exact Mass: 408.14
• IUPAC Name: 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride
• SMILES: CN1CCc2c(N3CC(N)C4(CC4)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23.Cl
• InChI: InChI=1S/C19H21FN4O3.ClH/c1-22-5-2-10-15-11(17(25)12(18(26)27)7-24(15)22)6-13(20)16(10)23-8-14(21)19(9-23)3-4-19;/h6-7,14H,2-5,8-9,21H2,1H3,(H,26,27);1H
• InChIKey: XRHLSUHRKNHJNE-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 91.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.86
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride?

The IUPAC name of 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride (CID 67762419) is 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride.

What is the SMILES notation for 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride?

The canonical SMILES for 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride is CN1CCc2c(N3CC(N)C4(CC4)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23.Cl.

What is the InChIKey of 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride?

The InChIKey is XRHLSUHRKNHJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3.ClH/c1-22-5-2-10-15-11(17(25)12(18(26)27)7-24(15)22)6-13(20)16(10)23-8-14(21)19(9-23)3-4-19;/h6-7,14H,2-5,8-9,21H2,1H3,(H,26,27);1H.

What are the key properties of 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride?

6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride has a molecular weight of 408.86 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(7-amino-5-azaspiro[2.4]heptan-5-yl)-7-fluoro-2-methyl-10-oxo-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid;hydrochloride is sourced from PubChem (CID 67762419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).