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

C23H28FN5O4 — CID 138594156

About 4-fluoro-1-(2-hydroxyethyl)-6-methoxy-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-1-(2-hydroxyethyl)-6-methoxy-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 138594156) has the molecular formula C23H28FN5O4 and a molecular weight of 457.51 g/mol. Its IUPAC name is 4-fluoro-1-(2-hydroxyethyl)-6-methoxy-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-1-(2-hydroxyethyl)-6-methoxy-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: 138594156
• Molecular Formula: C23H28FN5O4
• Molecular Weight: 457.51 g/mol
• Exact Mass: 457.21
• IUPAC Name: 4-fluoro-1-(2-hydroxyethyl)-6-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
• SMILES: COc1cc(F)c2c(c1)N(CCO)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
• InChI: InChI=1S/C23H28FN5O4/c1-27-7-3-4-15-19(27)25-22(26-20(15)31)28-8-5-23(6-9-28)18-16(24)12-14(33-2)13-17(18)29(10-11-30)21(23)32/h12-13,30H,3-11H2,1-2H3,(H,25,26,31)
• InChIKey: LADOTOYKYDCWDV-UHFFFAOYSA-N
• XLogP: 1.18
• TPSA: 102.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.51
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(2-hydroxyethyl)-6-methoxy-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-1-(2-hydroxyethyl)-6-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one (CID 138594156) is 4-fluoro-1-(2-hydroxyethyl)-6-methoxy-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-1-(2-hydroxyethyl)-6-methoxy-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-1-(2-hydroxyethyl)-6-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one is COc1cc(F)c2c(c1)N(CCO)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1.

What is the InChIKey of 4-fluoro-1-(2-hydroxyethyl)-6-methoxy-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 LADOTOYKYDCWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O4/c1-27-7-3-4-15-19(27)25-22(26-20(15)31)28-8-5-23(6-9-28)18-16(24)12-14(33-2)13-17(18)29(10-11-30)21(23)32/h12-13,30H,3-11H2,1-2H3,(H,25,26,31).

What are the key properties of 4-fluoro-1-(2-hydroxyethyl)-6-methoxy-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-1-(2-hydroxyethyl)-6-methoxy-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 457.51 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-1-(2-hydroxyethyl)-6-methoxy-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 138594156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).