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

C22H24ClFN4O5S — CID 153461469

IUPACN-[(4-chlorophenyl)methyl]-9-fluoro-2-[[1-[methyl(methylsulfonyl)amino]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCN(C1(CN2CCn3c(c(F)cc(C(=O)NCc4ccc(Cl)cc4)c3=O)C2=O)CC1)S(C)(=O)=O
InChIInChI=1S/C22H24ClFN4O5S/c1-26(34(2,32)33)22(7-8-22)13-27-9-10-28-18(21(27)31)17(24)11-16(20(28)30)19(29)25-12-14-3-5-15(23)6-4-14/h3-6,11H,7-10,12-13H2,1-2H3,(H,25,29)
InChIKeyGHXLHVCBGUFYAK-UHFFFAOYSA-N
MW510.98 g/mol
LogP1.45
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-9-fluoro-2-[[1-[methyl(methylsulfonyl)amino]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 153461469) has the molecular formula C22H24ClFN4O5S and a molecular weight of 510.98 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-9-fluoro-2-[[1-[methyl(methylsulfonyl)amino]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-9-fluoro-2-[[1-[methyl(methylsulfonyl)amino]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID153461469
Molecular FormulaC22H24ClFN4O5S
Molecular Weight510.98 g/mol
Exact Mass510.11
IUPAC NameN-[(4-chlorophenyl)methyl]-9-fluoro-2-[[1-[methyl(methylsulfonyl)amino]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESCN(C1(CN2CCn3c(c(F)cc(C(=O)NCc4ccc(Cl)cc4)c3=O)C2=O)CC1)S(C)(=O)=O
InChIInChI=1S/C22H24ClFN4O5S/c1-26(34(2,32)33)22(7-8-22)13-27-9-10-28-18(21(27)31)17(24)11-16(20(28)30)19(29)25-12-14-3-5-15(23)6-4-14/h3-6,11H,7-10,12-13H2,1-2H3,(H,25,29)
InChIKeyGHXLHVCBGUFYAK-UHFFFAOYSA-N
XLogP1.45
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.98
LogP ≤ 51.45
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-[[1-[methyl(methylsulfonyl)amino]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-9-fluoro-2-[[1-[methyl(methylsulfonyl)amino]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 153461469) is N-[(4-chlorophenyl)methyl]-9-fluoro-2-[[1-[methyl(methylsulfonyl)amino]cyclopropyl]methyl]-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-[[1-[methyl(methylsulfonyl)amino]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-9-fluoro-2-[[1-[methyl(methylsulfonyl)amino]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is CN(C1(CN2CCn3c(c(F)cc(C(=O)NCc4ccc(Cl)cc4)c3=O)C2=O)CC1)S(C)(=O)=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-9-fluoro-2-[[1-[methyl(methylsulfonyl)amino]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is GHXLHVCBGUFYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN4O5S/c1-26(34(2,32)33)22(7-8-22)13-27-9-10-28-18(21(27)31)17(24)11-16(20(28)30)19(29)25-12-14-3-5-15(23)6-4-14/h3-6,11H,7-10,12-13H2,1-2H3,(H,25,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-9-fluoro-2-[[1-[methyl(methylsulfonyl)amino]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-chlorophenyl)methyl]-9-fluoro-2-[[1-[methyl(methylsulfonyl)amino]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 510.98 g/mol, XLogP of 1.45, 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-[[1-[methyl(methylsulfonyl)amino]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 153461469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).