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

C18H24FN5O3 — CID 72876461

IUPAC8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(c1ncc(F)c(N3CCCC3)n1)CC2
InChIInChI=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)
InChIKeyFPCDJQAUKBUYSW-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.12
Rot. Bonds3

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

8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72876461) has the molecular formula C18H24FN5O3 and a molecular weight of 377.42 g/mol. Its IUPAC name is 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 Name8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72876461
Molecular FormulaC18H24FN5O3
Molecular Weight377.42 g/mol
Exact Mass377.19
IUPAC Name8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(c1ncc(F)c(N3CCCC3)n1)CC2
InChIInChI=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)
InChIKeyFPCDJQAUKBUYSW-UHFFFAOYSA-N
XLogP1.12
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-2-oxo-8-(2-pyrimidinylmethyl)-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72926052
(4S)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204992
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 164640878
(3S*,4S*)-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-4-propyl-3-pyrrolidinecarboxylic acid
CID 72891352
(4S)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97195439
(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
3-[2-acetyl-5-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]hexahydropyrrolo[3,4-c]pyrrol-3a(1H)-yl]propanoic acid
CID 138385794
1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 156603968
8-[6-(Isopropylamino)pyrimidin-4-YL]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72839967
8-[(2-Cyclopropyl-5-pyrimidinyl)carbonyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72841349
2-Oxo-8-{[2-(1-pyrrolidinyl)-5-pyrimidinyl]methyl}-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72842961
1-Methyl-2-oxo-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72848122

Frequently Asked Questions

What is the IUPAC name of 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 8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72876461) is 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 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 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)CC(C(=O)O)C12CCN(c1ncc(F)c(N3CCCC3)n1)CC2.
What is the InChIKey of 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-UHFFFAOYSA-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).
What are the key properties of 8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
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 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 72876461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).