7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one

C25H23FN2O — CID 23298936

IUPAC7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one
SMILESO=C1CC2(CCN(C3Cc4cccc5cccc3c45)CC2)N1c1ccc(F)cc1
InChIInChI=1S/C25H23FN2O/c26-19-7-9-20(10-8-19)28-23(29)16-25(28)11-13-27(14-12-25)22-15-18-5-1-3-17-4-2-6-21(22)24(17)18/h1-10,22H,11-16H2
InChIKeyVFKQRWMWGAGIPA-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.85
Rot. Bonds2

About 7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one

7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one (PubChem CID 23298936) has the molecular formula C25H23FN2O and a molecular weight of 386.47 g/mol. Its IUPAC name is 7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one
PubChem CID23298936
Molecular FormulaC25H23FN2O
Molecular Weight386.47 g/mol
Exact Mass386.18
IUPAC Name7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one
SMILESO=C1CC2(CCN(C3Cc4cccc5cccc3c45)CC2)N1c1ccc(F)cc1
InChIInChI=1S/C25H23FN2O/c26-19-7-9-20(10-8-19)28-23(29)16-25(28)11-13-27(14-12-25)22-15-18-5-1-3-17-4-2-6-21(22)24(17)18/h1-10,22H,11-16H2
InChIKeyVFKQRWMWGAGIPA-UHFFFAOYSA-N
XLogP4.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one?
The IUPAC name of 7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one (CID 23298936) is 7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one.
What is the SMILES notation for 7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one?
The canonical SMILES for 7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one is O=C1CC2(CCN(C3Cc4cccc5cccc3c45)CC2)N1c1ccc(F)cc1.
What is the InChIKey of 7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one?
The InChIKey is VFKQRWMWGAGIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O/c26-19-7-9-20(10-8-19)28-23(29)16-25(28)11-13-27(14-12-25)22-15-18-5-1-3-17-4-2-6-21(22)24(17)18/h1-10,22H,11-16H2.
What are the key properties of 7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one?
7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one has a molecular weight of 386.47 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2-dihydroacenaphthylen-1-yl)-1-(4-fluorophenyl)-1,7-diazaspiro[3.5]nonan-2-one is sourced from PubChem (CID 23298936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).