8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione

C23H19F2N3O3 — CID 122532607

IUPAC8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESO=C1c2c(O)c(=O)cnn2C(C(c2ccccc2)c2ccccc2)CN1CC=C(F)F
InChIInChI=1S/C23H19F2N3O3/c24-19(25)11-12-27-14-17(28-21(23(27)31)22(30)18(29)13-26-28)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-11,13,17,20,30H,12,14H2
InChIKeyVYFGHOHEHJGHLE-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.56
Rot. Bonds5

About 8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione

8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (PubChem CID 122532607) has the molecular formula C23H19F2N3O3 and a molecular weight of 423.42 g/mol. Its IUPAC name is 8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.

Molecular Properties

Compound Name8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
PubChem CID122532607
Molecular FormulaC23H19F2N3O3
Molecular Weight423.42 g/mol
Exact Mass423.14
IUPAC Name8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione
SMILESO=C1c2c(O)c(=O)cnn2C(C(c2ccccc2)c2ccccc2)CN1CC=C(F)F
InChIInChI=1S/C23H19F2N3O3/c24-19(25)11-12-27-14-17(28-21(23(27)31)22(30)18(29)13-26-28)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-11,13,17,20,30H,12,14H2
InChIKeyVYFGHOHEHJGHLE-UHFFFAOYSA-N
XLogP3.56
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The IUPAC name of 8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione (CID 122532607) is 8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione.
What is the SMILES notation for 8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The canonical SMILES for 8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is O=C1c2c(O)c(=O)cnn2C(C(c2ccccc2)c2ccccc2)CN1CC=C(F)F.
What is the InChIKey of 8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
The InChIKey is VYFGHOHEHJGHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3/c24-19(25)11-12-27-14-17(28-21(23(27)31)22(30)18(29)13-26-28)20(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-11,13,17,20,30H,12,14H2.
What are the key properties of 8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione?
8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione has a molecular weight of 423.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzhydryl-6-(3,3-difluoroprop-2-enyl)-4-hydroxy-7,8-dihydropyrazino[1,2-b]pyridazine-3,5-dione is sourced from PubChem (CID 122532607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).