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

C23H27F2N5O3 — CID 155532179

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

4,6-difluoro-1-(2-methoxyethyl)-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 155532179) has the molecular formula C23H27F2N5O3 and a molecular weight of 459.50 g/mol. Its IUPAC name is 4,6-difluoro-1-(2-methoxyethyl)-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: 4,6-difluoro-1-(2-methoxyethyl)-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: 155532179
• Molecular Formula: C23H27F2N5O3
• Molecular Weight: 459.50 g/mol
• Exact Mass: 459.21
• IUPAC Name: 4,6-difluoro-1-(2-methoxyethyl)-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
• SMILES: COCCN1C(=O)C2(CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)c2c(F)cc(F)cc21
• InChI: InChI=1S/C23H27F2N5O3/c1-28-7-3-4-15-19(28)26-22(27-20(15)31)29-8-5-23(6-9-29)18-16(25)12-14(24)13-17(18)30(21(23)32)10-11-33-2/h12-13H,3-11H2,1-2H3,(H,26,27,31)
• InChIKey: GNQFITKNHVZOAH-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 81.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.50
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-(2-methoxyethyl)-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 4,6-difluoro-1-(2-methoxyethyl)-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one (CID 155532179) is 4,6-difluoro-1-(2-methoxyethyl)-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 4,6-difluoro-1-(2-methoxyethyl)-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 4,6-difluoro-1-(2-methoxyethyl)-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one is COCCN1C(=O)C2(CCN(c3nc4c(c(=O)[nH]3)CCCN4C)CC2)c2c(F)cc(F)cc21.

What is the InChIKey of 4,6-difluoro-1-(2-methoxyethyl)-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 GNQFITKNHVZOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N5O3/c1-28-7-3-4-15-19(28)26-22(27-20(15)31)29-8-5-23(6-9-29)18-16(25)12-14(24)13-17(18)30(21(23)32)10-11-33-2/h12-13H,3-11H2,1-2H3,(H,26,27,31).

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

4,6-difluoro-1-(2-methoxyethyl)-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 459.50 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-difluoro-1-(2-methoxyethyl)-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 155532179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).