2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

C20H25FN4O — CID 70733308

IUPAC2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)CC1=O
InChIInChI=1S/C20H25FN4O/c1-2-24-15-20(11-19(24)26)7-9-23(10-8-20)13-16-12-22-25(14-16)18-5-3-17(21)4-6-18/h3-6,12,14H,2,7-11,13,15H2,1H3
InChIKeyOFRXPZJJSMWJSO-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.85
Rot. Bonds4

About 2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one

2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70733308) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70733308
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)CC1=O
InChIInChI=1S/C20H25FN4O/c1-2-24-15-20(11-19(24)26)7-9-23(10-8-20)13-16-12-22-25(14-16)18-5-3-17(21)4-6-18/h3-6,12,14H,2,7-11,13,15H2,1H3
InChIKeyOFRXPZJJSMWJSO-UHFFFAOYSA-N
XLogP2.85
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70733308) is 2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)CC1=O.
What is the InChIKey of 2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is OFRXPZJJSMWJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-2-24-15-20(11-19(24)26)7-9-23(10-8-20)13-16-12-22-25(14-16)18-5-3-17(21)4-6-18/h3-6,12,14H,2,7-11,13,15H2,1H3.
What are the key properties of 2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one?
2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 356.44 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70733308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).