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

C20H22ClFN4O5S — CID 151917165

IUPACN-[(4-chlorophenyl)methyl]-9-fluoro-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCN(CCN1CCn2c(c(F)cc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O)S(C)(=O)=O
InChIInChI=1S/C20H22ClFN4O5S/c1-24(32(2,30)31)7-8-25-9-10-26-17(20(25)29)16(22)11-15(19(26)28)18(27)23-12-13-3-5-14(21)6-4-13/h3-6,11H,7-10,12H2,1-2H3,(H,23,27)
InChIKeySVZPRMHBKLBPCT-UHFFFAOYSA-N
MW484.94 g/mol
LogP0.92
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-9-fluoro-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 151917165) has the molecular formula C20H22ClFN4O5S and a molecular weight of 484.94 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-9-fluoro-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-fluoro-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID151917165
Molecular FormulaC20H22ClFN4O5S
Molecular Weight484.94 g/mol
Exact Mass484.10
IUPAC NameN-[(4-chlorophenyl)methyl]-9-fluoro-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCN(CCN1CCn2c(c(F)cc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O)S(C)(=O)=O
InChIInChI=1S/C20H22ClFN4O5S/c1-24(32(2,30)31)7-8-25-9-10-26-17(20(25)29)16(22)11-15(19(26)28)18(27)23-12-13-3-5-14(21)6-4-13/h3-6,11H,7-10,12H2,1-2H3,(H,23,27)
InChIKeySVZPRMHBKLBPCT-UHFFFAOYSA-N
XLogP0.92
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-9-fluoro-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-fluoro-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 151917165) is N-[(4-chlorophenyl)methyl]-9-fluoro-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-fluoro-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-fluoro-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is CN(CCN1CCn2c(c(F)cc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O)S(C)(=O)=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-9-fluoro-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is SVZPRMHBKLBPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O5S/c1-24(32(2,30)31)7-8-25-9-10-26-17(20(25)29)16(22)11-15(19(26)28)18(27)23-12-13-3-5-14(21)6-4-13/h3-6,11H,7-10,12H2,1-2H3,(H,23,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-9-fluoro-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-chlorophenyl)methyl]-9-fluoro-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 484.94 g/mol, XLogP of 0.92, 7 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-fluoro-2-[2-[methyl(methylsulfonyl)amino]ethyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 151917165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).