8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione

C24H19F2N3O4 — CID 118366313

IUPAC8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1C(=O)OC2(CCC(F)(F)CC2)C1=O)c1ccc(-c2nccc3ccncc23)cc1
InChIInChI=1S/C24H19F2N3O4/c25-24(26)9-7-23(8-10-24)21(31)29(22(32)33-23)14-19(30)16-1-3-17(4-2-16)20-18-13-27-11-5-15(18)6-12-28-20/h1-6,11-13H,7-10,14H2
InChIKeyAIUJROUTBQDJAQ-UHFFFAOYSA-N
MW451.43 g/mol
LogP4.41
Rot. Bonds4

About 8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione

8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione (PubChem CID 118366313) has the molecular formula C24H19F2N3O4 and a molecular weight of 451.43 g/mol. Its IUPAC name is 8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione
PubChem CID118366313
Molecular FormulaC24H19F2N3O4
Molecular Weight451.43 g/mol
Exact Mass451.13
IUPAC Name8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1C(=O)OC2(CCC(F)(F)CC2)C1=O)c1ccc(-c2nccc3ccncc23)cc1
InChIInChI=1S/C24H19F2N3O4/c25-24(26)9-7-23(8-10-24)21(31)29(22(32)33-23)14-19(30)16-1-3-17(4-2-16)20-18-13-27-11-5-15(18)6-12-28-20/h1-6,11-13H,7-10,14H2
InChIKeyAIUJROUTBQDJAQ-UHFFFAOYSA-N
XLogP4.41
TPSA89.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione (CID 118366313) is 8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione is O=C(CN1C(=O)OC2(CCC(F)(F)CC2)C1=O)c1ccc(-c2nccc3ccncc23)cc1.
What is the InChIKey of 8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione?
The InChIKey is AIUJROUTBQDJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O4/c25-24(26)9-7-23(8-10-24)21(31)29(22(32)33-23)14-19(30)16-1-3-17(4-2-16)20-18-13-27-11-5-15(18)6-12-28-20/h1-6,11-13H,7-10,14H2.
What are the key properties of 8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione?
8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione has a molecular weight of 451.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-3-[2-[4-(2,7-naphthyridin-1-yl)phenyl]-2-oxoethyl]-1-oxa-3-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 118366313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).