5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one

C28H26N4O2 — CID 20534319

IUPAC5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one
SMILESCCN(CC)c1ccc(C2(N(c3ccccc3)c3ccccc3)OC(=O)c3nccnc32)cc1
InChIInChI=1S/C28H26N4O2/c1-3-31(4-2)22-17-15-21(16-18-22)28(26-25(27(33)34-28)29-19-20-30-26)32(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-20H,3-4H2,1-2H3
InChIKeyLLGVGQSTGCHJLF-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.53
Rot. Bonds7

About 5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one

5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one (PubChem CID 20534319) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one.

Molecular Properties

Compound Name5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one
PubChem CID20534319
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one
SMILESCCN(CC)c1ccc(C2(N(c3ccccc3)c3ccccc3)OC(=O)c3nccnc32)cc1
InChIInChI=1S/C28H26N4O2/c1-3-31(4-2)22-17-15-21(16-18-22)28(26-25(27(33)34-28)29-19-20-30-26)32(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-20H,3-4H2,1-2H3
InChIKeyLLGVGQSTGCHJLF-UHFFFAOYSA-N
XLogP5.53
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-bis[4-(diethylamino)phenyl]-4-methylfuro[3,4-b]pyridin-7-one
CID 139669536
5,5-bis[4-(diethylamino)-2-propan-2-ylphenyl]furo[3,4-b]pyrazin-7-one
CID 139663973
N,N-diethylaniline
CID 7061
N,N-diethylaniline;hydrazine
CID 161037544
7-[4-(diethylamino)-2-nitrophenyl]-7-[4-(diethylamino)phenyl]furo[3,4-b]pyridin-5-one
CID 139642782
5-(1-butyl-2-phenylindol-3-yl)-5-[4-(diethylamino)-2-ethylphenyl]furo[3,4-b]pyrazin-7-one
CID 18916363
CID 161146216
CID 161146216
dichloromethane;N,N-diethylaniline
CID 157472052
3,3-bis[4-(diethylamino)-2-ethylsulfanylphenyl]-2-benzofuran-1-one;7,7-bis[4-(diethylamino)-2-ethylsulfanylphenyl]furo[3,4-b]pyridin-5-one;3-[4-(diethylamino)-2-ethylsulfanylphenyl]-3-[4-(diethylamino)phenyl]-2-benzofuran-1-one
CID 161087382
1-[4-(diethylamino)phenyl]cyclopentane-1-carboxylic acid
CID 117408044
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
1-[4-(diethylamino)phenyl]cyclohexane-1-carboxylic acid
CID 117440769

Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one?
The IUPAC name of 5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one (CID 20534319) is 5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one.
What is the SMILES notation for 5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one?
The canonical SMILES for 5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one is CCN(CC)c1ccc(C2(N(c3ccccc3)c3ccccc3)OC(=O)c3nccnc32)cc1.
What is the InChIKey of 5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one?
The InChIKey is LLGVGQSTGCHJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-3-31(4-2)22-17-15-21(16-18-22)28(26-25(27(33)34-28)29-19-20-30-26)32(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-20H,3-4H2,1-2H3.
What are the key properties of 5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one?
5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one has a molecular weight of 450.54 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)phenyl]-5-(N-phenylanilino)furo[3,4-b]pyrazin-7-one is sourced from PubChem (CID 20534319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).