2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione

C25H25N3O3 — CID 171398402

IUPAC2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CN(Cc3ccc(-c4ccccc4)cc3)CCN2C(=O)CN1Cc1ccco1
InChIInChI=1S/C25H25N3O3/c29-24-18-27(16-22-7-4-14-31-22)25(30)23-17-26(12-13-28(23)24)15-19-8-10-21(11-9-19)20-5-2-1-3-6-20/h1-11,14,23H,12-13,15-18H2
InChIKeyNJUDLVGEXVVXIV-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.00
Rot. Bonds5

About 2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione

2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (PubChem CID 171398402) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
PubChem CID171398402
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
SMILESO=C1C2CN(Cc3ccc(-c4ccccc4)cc3)CCN2C(=O)CN1Cc1ccco1
InChIInChI=1S/C25H25N3O3/c29-24-18-27(16-22-7-4-14-31-22)25(30)23-17-26(12-13-28(23)24)15-19-8-10-21(11-9-19)20-5-2-1-3-6-20/h1-11,14,23H,12-13,15-18H2
InChIKeyNJUDLVGEXVVXIV-UHFFFAOYSA-N
XLogP3.00
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[(4-phenylphenyl)methyl]-2-(pyridin-3-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 162525205
2-(furan-2-ylmethyl)-8-(quinolin-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398196
2-[(4-phenylphenyl)methyl]-8-(quinolin-7-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398478
2-(1-benzofuran-2-ylmethyl)-8-(quinolin-6-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398339
2-(naphthalen-1-ylmethyl)-8-(naphthalen-2-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398177
2-(naphthalen-2-ylmethyl)-8-(quinolin-3-ylmethyl)-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398287
8-(naphthalen-1-ylmethyl)-2-[(4-phenylphenyl)methyl]-1,3,4,7,8,9a-hexahydropyrido[1,2-a]pyrazine-6,9-dione
CID 171398403
(4R)-1-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017405
2-benzyl-9-[(3-fluoro-4-pyridinyl)methyl]-3,6,7,8,10,10a-hexahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
CID 154579838
2-[2-(furan-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929494
2-(1-benzofuran-2-ylmethyl)-8-[(1-methylindol-2-yl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione
CID 171398264
1-(furan-2-ylmethyl)-4-[(4-methylphenyl)methyl]piperazine
CID 772071

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione (CID 171398402) is 2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is O=C1C2CN(Cc3ccc(-c4ccccc4)cc3)CCN2C(=O)CN1Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?
The InChIKey is NJUDLVGEXVVXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c29-24-18-27(16-22-7-4-14-31-22)25(30)23-17-26(12-13-28(23)24)15-19-8-10-21(11-9-19)20-5-2-1-3-6-20/h1-11,14,23H,12-13,15-18H2.
What are the key properties of 2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione?
2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione has a molecular weight of 415.49 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-8-[(4-phenylphenyl)methyl]-6,7,9,9a-tetrahydro-3H-pyrazino[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 171398402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).