(4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H24FN5O3 — CID 97195440

About (4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97195440) has the molecular formula C18H24FN5O3 and a molecular weight of 377.42 g/mol. Its IUPAC name is (4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: (4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• PubChem CID: 97195440
• Molecular Formula: C18H24FN5O3
• Molecular Weight: 377.42 g/mol
• Exact Mass: 377.19
• IUPAC Name: (4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• SMILES: CN1C(=O)C[C@@H](C(=O)O)C12CCN(c1ncc(F)c(N3CCCC3)n1)CC2
• InChI: InChI=1S/C18H24FN5O3/c1-22-14(25)10-12(16(26)27)18(22)4-8-24(9-5-18)17-20-11-13(19)15(21-17)23-6-2-3-7-23/h11-12H,2-10H2,1H3,(H,26,27)/t12-/m0/s1
• InChIKey: FPCDJQAUKBUYSW-LBPRGKRZSA-N
• XLogP: 1.12
• TPSA: 89.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.42
LogP ≤ 5	1.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The IUPAC name of (4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97195440) is (4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

What is the SMILES notation for (4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The canonical SMILES for (4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)C[C@@H](C(=O)O)C12CCN(c1ncc(F)c(N3CCCC3)n1)CC2.

What is the InChIKey of (4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The InChIKey is FPCDJQAUKBUYSW-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24FN5O3/c1-22-14(25)10-12(16(26)27)18(22)4-8-24(9-5-18)17-20-11-13(19)15(21-17)23-6-2-3-7-23/h11-12H,2-10H2,1H3,(H,26,27)/t12-/m0/s1.

What are the key properties of (4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

(4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 377.42 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97195440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).