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

C25H32FN7O2 — CID 138594171

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

4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-piperazin-1-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 138594171) has the molecular formula C25H32FN7O2 and a molecular weight of 481.58 g/mol. Its IUPAC name is 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-piperazin-1-ylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

• Compound Name: 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-piperazin-1-ylspiro[indole-3,4'-piperidine]-2-one
• PubChem CID: 138594171
• Molecular Formula: C25H32FN7O2
• Molecular Weight: 481.58 g/mol
• Exact Mass: 481.26
• IUPAC Name: 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-piperazin-1-ylspiro[indole-3,4'-piperidine]-2-one
• SMILES: CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(C)c1cc(N4CCNCC4)cc(F)c13)[nH]c2=O
• InChI: InChI=1S/C25H32FN7O2/c1-30-9-3-4-17-21(30)28-24(29-22(17)34)33-10-5-25(6-11-33)20-18(26)14-16(32-12-7-27-8-13-32)15-19(20)31(2)23(25)35/h14-15,27H,3-13H2,1-2H3,(H,28,29,34)
• InChIKey: AYRJROJFWRQHPH-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 87.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.58
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-piperazin-1-ylspiro[indole-3,4'-piperidine]-2-one (CID 138594171) is 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-piperazin-1-ylspiro[indole-3,4'-piperidine]-2-one.

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

The canonical SMILES for 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-piperazin-1-ylspiro[indole-3,4'-piperidine]-2-one is CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(C)c1cc(N4CCNCC4)cc(F)c13)[nH]c2=O.

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

The InChIKey is AYRJROJFWRQHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN7O2/c1-30-9-3-4-17-21(30)28-24(29-22(17)34)33-10-5-25(6-11-33)20-18(26)14-16(32-12-7-27-8-13-32)15-19(20)31(2)23(25)35/h14-15,27H,3-13H2,1-2H3,(H,28,29,34).

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

4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-piperazin-1-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 481.58 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-piperazin-1-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 138594171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).