6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione

C23H24ClF2N3O4S — CID 59735193

IUPAC6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
SMILESCC(C)N1CC2N(C(=O)CCN2S(=O)(=O)c2ccc(F)cc2F)C(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C23H24ClF2N3O4S/c1-14(2)27-13-21-28(34(32,33)20-8-7-17(25)12-18(20)26)10-9-22(30)29(21)19(23(27)31)11-15-3-5-16(24)6-4-15/h3-8,12,14,19,21H,9-11,13H2,1-2H3
InChIKeyRJHNMWYPQZVJCS-UHFFFAOYSA-N
MW511.98 g/mol
LogP3.03
Rot. Bonds5

About 6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione

6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione (PubChem CID 59735193) has the molecular formula C23H24ClF2N3O4S and a molecular weight of 511.98 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
PubChem CID59735193
Molecular FormulaC23H24ClF2N3O4S
Molecular Weight511.98 g/mol
Exact Mass511.11
IUPAC Name6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
SMILESCC(C)N1CC2N(C(=O)CCN2S(=O)(=O)c2ccc(F)cc2F)C(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C23H24ClF2N3O4S/c1-14(2)27-13-21-28(34(32,33)20-8-7-17(25)12-18(20)26)10-9-22(30)29(21)19(23(27)31)11-15-3-5-16(24)6-4-15/h3-8,12,14,19,21H,9-11,13H2,1-2H3
InChIKeyRJHNMWYPQZVJCS-UHFFFAOYSA-N
XLogP3.03
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.98
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione?
The IUPAC name of 6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione (CID 59735193) is 6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione.
What is the SMILES notation for 6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione?
The canonical SMILES for 6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione is CC(C)N1CC2N(C(=O)CCN2S(=O)(=O)c2ccc(F)cc2F)C(Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione?
The InChIKey is RJHNMWYPQZVJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF2N3O4S/c1-14(2)27-13-21-28(34(32,33)20-8-7-17(25)12-18(20)26)10-9-22(30)29(21)19(23(27)31)11-15-3-5-16(24)6-4-15/h3-8,12,14,19,21H,9-11,13H2,1-2H3.
What are the key properties of 6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione?
6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione has a molecular weight of 511.98 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methyl]-1-(2,4-difluorophenyl)sulfonyl-8-propan-2-yl-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione is sourced from PubChem (CID 59735193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).