3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one

C25H23FN4O5 — CID 54674233

IUPAC3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCC(=CCn3c(=O)ccc4ncc(F)cc43)CC2)CN1c1cc2c(cn1)OCCO2
InChIInChI=1S/C25H23FN4O5/c26-17-11-19-18(27-13-17)1-2-23(31)29(19)8-5-16-3-6-25(7-4-16)15-30(24(32)35-25)22-12-20-21(14-28-22)34-10-9-33-20/h1-2,5,11-14H,3-4,6-10,15H2/b16-5-
InChIKeyAGKPHDKBZHUZJP-BNCCVWRVSA-N
MW478.48 g/mol
LogP3.60
Rot. Bonds3

About 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one

3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one (PubChem CID 54674233) has the molecular formula C25H23FN4O5 and a molecular weight of 478.48 g/mol. Its IUPAC name is 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one
PubChem CID54674233
Molecular FormulaC25H23FN4O5
Molecular Weight478.48 g/mol
Exact Mass478.17
IUPAC Name3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCC(=CCn3c(=O)ccc4ncc(F)cc43)CC2)CN1c1cc2c(cn1)OCCO2
InChIInChI=1S/C25H23FN4O5/c26-17-11-19-18(27-13-17)1-2-23(31)29(19)8-5-16-3-6-25(7-4-16)15-30(24(32)35-25)22-12-20-21(14-28-22)34-10-9-33-20/h1-2,5,11-14H,3-4,6-10,15H2/b16-5-
InChIKeyAGKPHDKBZHUZJP-BNCCVWRVSA-N
XLogP3.60
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one (CID 54674233) is 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one is O=C1OC2(CCC(=CCn3c(=O)ccc4ncc(F)cc43)CC2)CN1c1cc2c(cn1)OCCO2.
What is the InChIKey of 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one?
The InChIKey is AGKPHDKBZHUZJP-BNCCVWRVSA-N. The full InChI is InChI=1S/C25H23FN4O5/c26-17-11-19-18(27-13-17)1-2-23(31)29(19)8-5-16-3-6-25(7-4-16)15-30(24(32)35-25)22-12-20-21(14-28-22)34-10-9-33-20/h1-2,5,11-14H,3-4,6-10,15H2/b16-5-.
What are the key properties of 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one?
3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one has a molecular weight of 478.48 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-8-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethylidene]-1-oxa-3-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 54674233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).