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

C24H26N4O3 — CID 59144669

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

6-ethyl-1'-(7-ethyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (PubChem CID 59144669) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 6-ethyl-1'-(7-ethyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.

Molecular Properties

• Compound Name: 6-ethyl-1'-(7-ethyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
• PubChem CID: 59144669
• Molecular Formula: C24H26N4O3
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.20
• IUPAC Name: 6-ethyl-1'-(7-ethyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one
• SMILES: CCc1ccc2c(c1)C(=O)NC1(CCN(C(=O)c3cc(CC)c4[nH]ncc4c3)CC1)O2
• InChI: InChI=1S/C24H26N4O3/c1-3-15-5-6-20-19(11-15)22(29)26-24(31-20)7-9-28(10-8-24)23(30)17-12-16(4-2)21-18(13-17)14-25-27-21/h5-6,11-14H,3-4,7-10H2,1-2H3,(H,25,27)(H,26,29)
• InChIKey: QLFQBPYWIIRBPO-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 6-ethyl-1'-(7-ethyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one (CID 59144669) is 6-ethyl-1'-(7-ethyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one.

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

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

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

The InChIKey is QLFQBPYWIIRBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-15-5-6-20-19(11-15)22(29)26-24(31-20)7-9-28(10-8-24)23(30)17-12-16(4-2)21-18(13-17)14-25-27-21/h5-6,11-14H,3-4,7-10H2,1-2H3,(H,25,27)(H,26,29).

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

6-ethyl-1'-(7-ethyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one has a molecular weight of 418.50 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-1'-(7-ethyl-1H-indazole-5-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one is sourced from PubChem (CID 59144669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).