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

C20H21ClFN3O5S — CID 153461480

IUPACN-[(4-chlorophenyl)methyl]-9-fluoro-2-(3-methylsulfonylpropyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCS(=O)(=O)CCCN1CCn2c(c(F)cc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O
InChIInChI=1S/C20H21ClFN3O5S/c1-31(29,30)10-2-7-24-8-9-25-17(20(24)28)16(22)11-15(19(25)27)18(26)23-12-13-3-5-14(21)6-4-13/h3-6,11H,2,7-10,12H2,1H3,(H,23,26)
InChIKeyHTCARBROSQPIEA-UHFFFAOYSA-N
MW469.92 g/mol
LogP1.46
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-9-fluoro-2-(3-methylsulfonylpropyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 153461480) has the molecular formula C20H21ClFN3O5S and a molecular weight of 469.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-9-fluoro-2-(3-methylsulfonylpropyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-9-fluoro-2-(3-methylsulfonylpropyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID153461480
Molecular FormulaC20H21ClFN3O5S
Molecular Weight469.92 g/mol
Exact Mass469.09
IUPAC NameN-[(4-chlorophenyl)methyl]-9-fluoro-2-(3-methylsulfonylpropyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCS(=O)(=O)CCCN1CCn2c(c(F)cc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O
InChIInChI=1S/C20H21ClFN3O5S/c1-31(29,30)10-2-7-24-8-9-25-17(20(24)28)16(22)11-15(19(25)27)18(26)23-12-13-3-5-14(21)6-4-13/h3-6,11H,2,7-10,12H2,1H3,(H,23,26)
InChIKeyHTCARBROSQPIEA-UHFFFAOYSA-N
XLogP1.46
TPSA105.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.92
LogP ≤ 51.46
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-(3-methylsulfonylpropyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-9-fluoro-2-(3-methylsulfonylpropyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 153461480) is N-[(4-chlorophenyl)methyl]-9-fluoro-2-(3-methylsulfonylpropyl)-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-(3-methylsulfonylpropyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-9-fluoro-2-(3-methylsulfonylpropyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is CS(=O)(=O)CCCN1CCn2c(c(F)cc(C(=O)NCc3ccc(Cl)cc3)c2=O)C1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-9-fluoro-2-(3-methylsulfonylpropyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is HTCARBROSQPIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O5S/c1-31(29,30)10-2-7-24-8-9-25-17(20(24)28)16(22)11-15(19(25)27)18(26)23-12-13-3-5-14(21)6-4-13/h3-6,11H,2,7-10,12H2,1H3,(H,23,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-9-fluoro-2-(3-methylsulfonylpropyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-chlorophenyl)methyl]-9-fluoro-2-(3-methylsulfonylpropyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 469.92 g/mol, XLogP of 1.46, 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-(3-methylsulfonylpropyl)-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 153461480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).