4-fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one

C24H30FN5O4 — CID 138594166

About 4-fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one

4-fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 138594166) has the molecular formula C24H30FN5O4 and a molecular weight of 471.53 g/mol. Its IUPAC name is 4-fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

• Compound Name: 4-fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
• PubChem CID: 138594166
• Molecular Formula: C24H30FN5O4
• Molecular Weight: 471.53 g/mol
• Exact Mass: 471.23
• IUPAC Name: 4-fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
• SMILES: COCCOc1cc(F)c2c(c1)N(C)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
• InChI: InChI=1S/C24H30FN5O4/c1-28-8-4-5-16-20(28)26-23(27-21(16)31)30-9-6-24(7-10-30)19-17(25)13-15(34-12-11-33-3)14-18(19)29(2)22(24)32/h13-14H,4-12H2,1-3H3,(H,26,27,31)
• InChIKey: KRJJSTRNPUSJST-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 91.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.53
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?

The IUPAC name of 4-fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one (CID 138594166) is 4-fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one.

What is the SMILES notation for 4-fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?

The canonical SMILES for 4-fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one is COCCOc1cc(F)c2c(c1)N(C)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1.

What is the InChIKey of 4-fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?

The InChIKey is KRJJSTRNPUSJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O4/c1-28-8-4-5-16-20(28)26-23(27-21(16)31)30-9-6-24(7-10-30)19-17(25)13-15(34-12-11-33-3)14-18(19)29(2)22(24)32/h13-14H,4-12H2,1-3H3,(H,26,27,31).

What are the key properties of 4-fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one?

4-fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 471.53 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-6-(2-methoxyethoxy)-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 138594166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).