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

C25H31FN6O3 — CID 155518184

About 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-morpholin-4-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-morpholin-4-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 155518184) has the molecular formula C25H31FN6O3 and a molecular weight of 482.56 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-morpholin-4-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-morpholin-4-ylspiro[indole-3,4'-piperidine]-2-one
• PubChem CID: 155518184
• Molecular Formula: C25H31FN6O3
• Molecular Weight: 482.56 g/mol
• Exact Mass: 482.24
• IUPAC Name: 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-morpholin-4-ylspiro[indole-3,4'-piperidine]-2-one
• SMILES: CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(C)c1cc(N4CCOCC4)cc(F)c13)[nH]c2=O
• InChI: InChI=1S/C25H31FN6O3/c1-29-7-3-4-17-21(29)27-24(28-22(17)33)32-8-5-25(6-9-32)20-18(26)14-16(31-10-12-35-13-11-31)15-19(20)30(2)23(25)34/h14-15H,3-13H2,1-2H3,(H,27,28,33)
• InChIKey: KVBKYZXBOMQZDK-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 85.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.56
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
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-morpholin-4-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-morpholin-4-ylspiro[indole-3,4'-piperidine]-2-one (CID 155518184) is 4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-morpholin-4-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-morpholin-4-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-morpholin-4-ylspiro[indole-3,4'-piperidine]-2-one is CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(C)c1cc(N4CCOCC4)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-morpholin-4-ylspiro[indole-3,4'-piperidine]-2-one?

The InChIKey is KVBKYZXBOMQZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O3/c1-29-7-3-4-17-21(29)27-24(28-22(17)33)32-8-5-25(6-9-32)20-18(26)14-16(31-10-12-35-13-11-31)15-19(20)30(2)23(25)34/h14-15H,3-13H2,1-2H3,(H,27,28,33).

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-morpholin-4-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-morpholin-4-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 482.56 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 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-morpholin-4-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 155518184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).