8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C20H23FN4O3 — CID 72863130

IUPAC8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(Cc1cnn(-c3ccc(F)cc3)c1)CC2
InChIInChI=1S/C20H23FN4O3/c1-23-18(26)10-17(19(27)28)20(23)6-8-24(9-7-20)12-14-11-22-25(13-14)16-4-2-15(21)3-5-16/h2-5,11,13,17H,6-10,12H2,1H3,(H,27,28)
InChIKeySFVOJKLFLQALMU-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.91
Rot. Bonds4

About 8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72863130) has the molecular formula C20H23FN4O3 and a molecular weight of 386.43 g/mol. Its IUPAC name is 8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72863130
Molecular FormulaC20H23FN4O3
Molecular Weight386.43 g/mol
Exact Mass386.18
IUPAC Name8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(Cc1cnn(-c3ccc(F)cc3)c1)CC2
InChIInChI=1S/C20H23FN4O3/c1-23-18(26)10-17(19(27)28)20(23)6-8-24(9-7-20)12-14-11-22-25(13-14)16-4-2-15(21)3-5-16/h2-5,11,13,17H,6-10,12H2,1H3,(H,27,28)
InChIKeySFVOJKLFLQALMU-UHFFFAOYSA-N
XLogP1.91
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72863130) is 8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(Cc1cnn(-c3ccc(F)cc3)c1)CC2.
What is the InChIKey of 8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is SFVOJKLFLQALMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O3/c1-23-18(26)10-17(19(27)28)20(23)6-8-24(9-7-20)12-14-11-22-25(13-14)16-4-2-15(21)3-5-16/h2-5,11,13,17H,6-10,12H2,1H3,(H,27,28).
What are the key properties of 8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 386.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72863130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).