6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

C23H24N4O3 — CID 59144580

About 6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one

6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (PubChem CID 59144580) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.

Molecular Properties

• Compound Name: 6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
• PubChem CID: 59144580
• Molecular Formula: C23H24N4O3
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.18
• IUPAC Name: 6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
• SMILES: CCc1ccc2c(c1)C(=O)NC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2
• InChI: InChI=1S/C23H24N4O3/c1-3-15-4-5-19-18(11-15)21(28)25-23(30-19)6-8-27(9-7-23)22(29)16-10-14(2)20-17(12-16)13-24-26-20/h4-5,10-13H,3,6-9H2,1-2H3,(H,24,26)(H,25,28)
• InChIKey: KIGMZIFKUZQLNS-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?

The IUPAC name of 6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (CID 59144580) is 6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.

What is the SMILES notation for 6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?

The canonical SMILES for 6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is CCc1ccc2c(c1)C(=O)NC1(CCN(C(=O)c3cc(C)c4[nH]ncc4c3)CC1)O2.

What is the InChIKey of 6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?

The InChIKey is KIGMZIFKUZQLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-3-15-4-5-19-18(11-15)21(28)25-23(30-19)6-8-27(9-7-23)22(29)16-10-14(2)20-17(12-16)13-24-26-20/h4-5,10-13H,3,6-9H2,1-2H3,(H,24,26)(H,25,28).

What are the key properties of 6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one?

6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one has a molecular weight of 404.47 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-1'-(7-methyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is sourced from PubChem (CID 59144580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).