methyl 3-(7-methyl-1H-indazol-5-yl)-2-[(4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)amino]propanoate

C26H28N6O4 — CID 24757744

About methyl 3-(7-methyl-1H-indazol-5-yl)-2-[(4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)amino]propanoate

methyl 3-(7-methyl-1H-indazol-5-yl)-2-[(4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)amino]propanoate (PubChem CID 24757744) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is methyl 3-(7-methyl-1H-indazol-5-yl)-2-[(4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)amino]propanoate.

Molecular Properties

• Compound Name: methyl 3-(7-methyl-1H-indazol-5-yl)-2-[(4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)amino]propanoate
• PubChem CID: 24757744
• Molecular Formula: C26H28N6O4
• Molecular Weight: 488.55 g/mol
• Exact Mass: 488.22
• IUPAC Name: methyl 3-(7-methyl-1H-indazol-5-yl)-2-[(4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)amino]propanoate
• SMILES: COC(=O)C(Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC2(CC1)N=C(c1ccccc1)NC2=O
• InChI: InChI=1S/C26H28N6O4/c1-16-12-17(13-19-15-27-31-21(16)19)14-20(23(33)36-2)28-25(35)32-10-8-26(9-11-32)24(34)29-22(30-26)18-6-4-3-5-7-18/h3-7,12-13,15,20H,8-11,14H2,1-2H3,(H,27,31)(H,28,35)(H,29,30,34)
• InChIKey: RECUNMSCXPOHDT-UHFFFAOYSA-N
• XLogP: 2.08
• TPSA: 128.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.55
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 3-(7-methyl-1H-indazol-5-yl)-2-[(4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)amino]propanoate?

The IUPAC name of methyl 3-(7-methyl-1H-indazol-5-yl)-2-[(4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)amino]propanoate (CID 24757744) is methyl 3-(7-methyl-1H-indazol-5-yl)-2-[(4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)amino]propanoate.

What is the SMILES notation for methyl 3-(7-methyl-1H-indazol-5-yl)-2-[(4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)amino]propanoate?

The canonical SMILES for methyl 3-(7-methyl-1H-indazol-5-yl)-2-[(4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)amino]propanoate is COC(=O)C(Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC2(CC1)N=C(c1ccccc1)NC2=O.

What is the InChIKey of methyl 3-(7-methyl-1H-indazol-5-yl)-2-[(4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)amino]propanoate?

The InChIKey is RECUNMSCXPOHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-16-12-17(13-19-15-27-31-21(16)19)14-20(23(33)36-2)28-25(35)32-10-8-26(9-11-32)24(34)29-22(30-26)18-6-4-3-5-7-18/h3-7,12-13,15,20H,8-11,14H2,1-2H3,(H,27,31)(H,28,35)(H,29,30,34).

What are the key properties of methyl 3-(7-methyl-1H-indazol-5-yl)-2-[(4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)amino]propanoate?

methyl 3-(7-methyl-1H-indazol-5-yl)-2-[(4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)amino]propanoate has a molecular weight of 488.55 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-(7-methyl-1H-indazol-5-yl)-2-[(4-oxo-2-phenyl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carbonyl)amino]propanoate is sourced from PubChem (CID 24757744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).