4-fluoro-6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-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

C28H37FN6O4 — CID 138594174

About 4-fluoro-6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-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-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-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 138594174) has the molecular formula C28H37FN6O4 and a molecular weight of 540.64 g/mol. Its IUPAC name is 4-fluoro-6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-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-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-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: 138594174
• Molecular Formula: C28H37FN6O4
• Molecular Weight: 540.64 g/mol
• Exact Mass: 540.29
• IUPAC Name: 4-fluoro-6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-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: CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(C)c1cc(OCCN4CCCC4CO)cc(F)c13)[nH]c2=O
• InChI: InChI=1S/C28H37FN6O4/c1-32-9-4-6-20-24(32)30-27(31-25(20)37)35-11-7-28(8-12-35)23-21(29)15-19(16-22(23)33(2)26(28)38)39-14-13-34-10-3-5-18(34)17-36/h15-16,18,36H,3-14,17H2,1-2H3,(H,30,31,37)
• InChIKey: XWOQSJIQHFDNOO-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 105.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.64
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-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-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-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 138594174) is 4-fluoro-6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-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-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-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-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-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 CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(C)c1cc(OCCN4CCCC4CO)cc(F)c13)[nH]c2=O.

What is the InChIKey of 4-fluoro-6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-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 XWOQSJIQHFDNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN6O4/c1-32-9-4-6-20-24(32)30-27(31-25(20)37)35-11-7-28(8-12-35)23-21(29)15-19(16-22(23)33(2)26(28)38)39-14-13-34-10-3-5-18(34)17-36/h15-16,18,36H,3-14,17H2,1-2H3,(H,30,31,37).

What are the key properties of 4-fluoro-6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-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-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-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 540.64 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-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 138594174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).