N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide

C24H23FN4O3 — CID 24884563

IUPACN-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)CN(c1ccccc1)C(=O)O2
InChIInChI=1S/C24H23FN4O3/c25-19-8-4-5-9-20(19)29-15-12-21(27-29)26-22(30)17-10-13-24(14-11-17)16-28(23(31)32-24)18-6-2-1-3-7-18/h1-9,12,15,17H,10-11,13-14,16H2,(H,26,27,30)
InChIKeyWNYLQQXAKWRNNM-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.54
Rot. Bonds4

About N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide

N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide (PubChem CID 24884563) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide
PubChem CID24884563
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC NameN-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)CN(c1ccccc1)C(=O)O2
InChIInChI=1S/C24H23FN4O3/c25-19-8-4-5-9-20(19)29-15-12-21(27-29)26-22(30)17-10-13-24(14-11-17)16-28(23(31)32-24)18-6-2-1-3-7-18/h1-9,12,15,17H,10-11,13-14,16H2,(H,26,27,30)
InChIKeyWNYLQQXAKWRNNM-UHFFFAOYSA-N
XLogP4.54
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide (CID 24884563) is N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide is O=C(Nc1ccn(-c2ccccc2F)n1)C1CCC2(CC1)CN(c1ccccc1)C(=O)O2.
What is the InChIKey of N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is WNYLQQXAKWRNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-19-8-4-5-9-20(19)29-15-12-21(27-29)26-22(30)17-10-13-24(14-11-17)16-28(23(31)32-24)18-6-2-1-3-7-18/h1-9,12,15,17H,10-11,13-14,16H2,(H,26,27,30).
What are the key properties of N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?
N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 434.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)pyrazol-3-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 24884563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).