2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C22H25N3O5S — CID 159219345

IUPAC2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CCS(=O)(=O)C2CC2)C3=O)cc1
InChIInChI=1S/C22H25N3O5S/c1-15-2-4-16(5-3-15)14-23-20(26)18-8-9-19-22(28)24(10-11-25(19)21(18)27)12-13-31(29,30)17-6-7-17/h2-5,8-9,17H,6-7,10-14H2,1H3,(H,23,26)
InChIKeyFYFSCMNHJTUODI-UHFFFAOYSA-N
MW443.53 g/mol
LogP1.12
Rot. Bonds7

About 2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 159219345) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID159219345
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CCS(=O)(=O)C2CC2)C3=O)cc1
InChIInChI=1S/C22H25N3O5S/c1-15-2-4-16(5-3-15)14-23-20(26)18-8-9-19-22(28)24(10-11-25(19)21(18)27)12-13-31(29,30)17-6-7-17/h2-5,8-9,17H,6-7,10-14H2,1H3,(H,23,26)
InChIKeyFYFSCMNHJTUODI-UHFFFAOYSA-N
XLogP1.12
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 159614059
2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 157161218
2-[[1-[(2R)-4-hydroxybutan-2-yl]sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 158001123
2-[2-[acetyl(methyl)amino]ethyl]-N-[(4-chlorophenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 153461477
N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 160951589
N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 153461401
1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylic acid
CID 146441940
2-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide)
CID 158542352
N-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 146442196
2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591343
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
N-[(4-chlorophenyl)methyl]-9-formyl-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 150706609

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of 2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 159219345) is 2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for 2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is Cc1ccc(CNC(=O)c2ccc3n(c2=O)CCN(CCS(=O)(=O)C2CC2)C3=O)cc1.
What is the InChIKey of 2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is FYFSCMNHJTUODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-15-2-4-16(5-3-15)14-23-20(26)18-8-9-19-22(28)24(10-11-25(19)21(18)27)12-13-31(29,30)17-6-7-17/h2-5,8-9,17H,6-7,10-14H2,1H3,(H,23,26).
What are the key properties of 2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 159219345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).