3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C25H25FN4O5 — CID 54674098

IUPAC3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cnc2ccc(=O)n(CC(=O)N3CCC4(CC3)CN(c3ccc(C)c(F)c3)C(=O)O4)c2c1
InChIInChI=1S/C25H25FN4O5/c1-16-3-4-17(11-19(16)26)30-15-25(35-24(30)33)7-9-28(10-8-25)23(32)14-29-21-12-18(34-2)13-27-20(21)5-6-22(29)31/h3-6,11-13H,7-10,14-15H2,1-2H3
InChIKeyNEVZCQOSXKHDNC-UHFFFAOYSA-N
MW480.50 g/mol
LogP2.87
Rot. Bonds4

About 3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 54674098) has the molecular formula C25H25FN4O5 and a molecular weight of 480.50 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID54674098
Molecular FormulaC25H25FN4O5
Molecular Weight480.50 g/mol
Exact Mass480.18
IUPAC Name3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cnc2ccc(=O)n(CC(=O)N3CCC4(CC3)CN(c3ccc(C)c(F)c3)C(=O)O4)c2c1
InChIInChI=1S/C25H25FN4O5/c1-16-3-4-17(11-19(16)26)30-15-25(35-24(30)33)7-9-28(10-8-25)23(32)14-29-21-12-18(34-2)13-27-20(21)5-6-22(29)31/h3-6,11-13H,7-10,14-15H2,1-2H3
InChIKeyNEVZCQOSXKHDNC-UHFFFAOYSA-N
XLogP2.87
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.50
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 54674098) is 3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COc1cnc2ccc(=O)n(CC(=O)N3CCC4(CC3)CN(c3ccc(C)c(F)c3)C(=O)O4)c2c1.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NEVZCQOSXKHDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O5/c1-16-3-4-17(11-19(16)26)30-15-25(35-24(30)33)7-9-28(10-8-25)23(32)14-29-21-12-18(34-2)13-27-20(21)5-6-22(29)31/h3-6,11-13H,7-10,14-15H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 480.50 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-8-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 54674098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).