N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C21H24ClFN4O5S — CID 150373435

IUPACN-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCN(CCN1CCn2c(c(CF)cc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O)S(C)(=O)=O
InChIInChI=1S/C21H24ClFN4O5S/c1-25(33(2,31)32)7-8-26-9-10-27-18(21(26)30)15(12-23)11-17(20(27)29)19(28)24-13-14-3-5-16(22)6-4-14/h3-6,11H,7-10,12-13H2,1-2H3,(H,24,28)
InChIKeyGYEUOLLHZGWTTM-UHFFFAOYSA-N
MW498.96 g/mol
LogP1.25
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 150373435) has the molecular formula C21H24ClFN4O5S and a molecular weight of 498.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID150373435
Molecular FormulaC21H24ClFN4O5S
Molecular Weight498.96 g/mol
Exact Mass498.11
IUPAC NameN-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCN(CCN1CCn2c(c(CF)cc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O)S(C)(=O)=O
InChIInChI=1S/C21H24ClFN4O5S/c1-25(33(2,31)32)7-8-26-9-10-27-18(21(26)30)15(12-23)11-17(20(27)29)19(28)24-13-14-3-5-16(22)6-4-14/h3-6,11H,7-10,12-13H2,1-2H3,(H,24,28)
InChIKeyGYEUOLLHZGWTTM-UHFFFAOYSA-N
XLogP1.25
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.96
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-[(4-chlorophenyl)methyl]-2-[2-(1,1-dihydroxy-1,2-thiazolidin-2-yl)ethyl]-1,6-dioxo-9-prop-2-enyl-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 146441931
N-[(4-cyanophenyl)methyl]-9-methyl-2-[(1-methylsulfonylcyclopropyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 146441876
1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylic acid
CID 146441940
N-[(4-chlorophenyl)methyl]-2,4-bis(hydroxymethyl)benzamide
CID 90945452
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CID 146442196
N-[[4-(difluoromethoxy)phenyl]methyl]-4-(2-methylsulfonylethyl)-12-oxo-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carboxamide
CID 169147690
ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate
CID 153461526
4-chloro-2-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8533201
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CID 159219345
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CID 53287248

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 150373435) is N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is CN(CCN1CCn2c(c(CF)cc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O)S(C)(=O)=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is GYEUOLLHZGWTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN4O5S/c1-25(33(2,31)32)7-8-26-9-10-27-18(21(26)30)15(12-23)11-17(20(27)29)19(28)24-13-14-3-5-16(22)6-4-14/h3-6,11H,7-10,12-13H2,1-2H3,(H,24,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 498.96 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-9-(fluoromethyl)-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 150373435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).