N-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide

C25H23FN4O3 — CID 24987974

IUPACN-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1cnc(-c2ccccc2F)cn1)C1CCC2(CC1)CN(c1ccccc1)C(=O)O2
InChIInChI=1S/C25H23FN4O3/c26-20-9-5-4-8-19(20)21-14-28-22(15-27-21)29-23(31)17-10-12-25(13-11-17)16-30(24(32)33-25)18-6-2-1-3-7-18/h1-9,14-15,17H,10-13,16H2,(H,28,29,31)
InChIKeyRXYJTMVVPSRLHJ-UHFFFAOYSA-N
MW446.48 g/mol
LogP4.81
Rot. Bonds4

About N-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide

N-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide (PubChem CID 24987974) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide
PubChem CID24987974
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC NameN-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide
SMILESO=C(Nc1cnc(-c2ccccc2F)cn1)C1CCC2(CC1)CN(c1ccccc1)C(=O)O2
InChIInChI=1S/C25H23FN4O3/c26-20-9-5-4-8-19(20)21-14-28-22(15-27-21)29-23(31)17-10-12-25(13-11-17)16-30(24(32)33-25)18-6-2-1-3-7-18/h1-9,14-15,17H,10-13,16H2,(H,28,29,31)
InChIKeyRXYJTMVVPSRLHJ-UHFFFAOYSA-N
XLogP4.81
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide (CID 24987974) is N-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide is O=C(Nc1cnc(-c2ccccc2F)cn1)C1CCC2(CC1)CN(c1ccccc1)C(=O)O2.
What is the InChIKey of N-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is RXYJTMVVPSRLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c26-20-9-5-4-8-19(20)21-14-28-22(15-27-21)29-23(31)17-10-12-25(13-11-17)16-30(24(32)33-25)18-6-2-1-3-7-18/h1-9,14-15,17H,10-13,16H2,(H,28,29,31).
What are the key properties of N-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide?
N-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)pyrazin-2-yl]-2-oxo-3-phenyl-1-oxa-3-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 24987974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).