N-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

C23H24ClN3O6S — CID 153461415

IUPACN-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2n(c1=O)CCN(CC1(S(=O)(=O)C3COC3)CC1)C2=O
InChIInChI=1S/C23H24ClN3O6S/c24-16-3-1-15(2-4-16)11-25-20(28)18-5-6-19-22(30)26(9-10-27(19)21(18)29)14-23(7-8-23)34(31,32)17-12-33-13-17/h1-6,17H,7-14H2,(H,25,28)
InChIKeyXKMKXAUONPFINA-UHFFFAOYSA-N
MW505.98 g/mol
LogP1.23
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide

N-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 153461415) has the molecular formula C23H24ClN3O6S and a molecular weight of 505.98 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID153461415
Molecular FormulaC23H24ClN3O6S
Molecular Weight505.98 g/mol
Exact Mass505.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2n(c1=O)CCN(CC1(S(=O)(=O)C3COC3)CC1)C2=O
InChIInChI=1S/C23H24ClN3O6S/c24-16-3-1-15(2-4-16)11-25-20(28)18-5-6-19-22(30)26(9-10-27(19)21(18)29)14-23(7-8-23)34(31,32)17-12-33-13-17/h1-6,17H,7-14H2,(H,25,28)
InChIKeyXKMKXAUONPFINA-UHFFFAOYSA-N
XLogP1.23
TPSA114.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.98
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 153461415) is N-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc2n(c1=O)CCN(CC1(S(=O)(=O)C3COC3)CC1)C2=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is XKMKXAUONPFINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O6S/c24-16-3-1-15(2-4-16)11-25-20(28)18-5-6-19-22(30)26(9-10-27(19)21(18)29)14-23(7-8-23)34(31,32)17-12-33-13-17/h1-6,17H,7-14H2,(H,25,28).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 505.98 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[1-(oxetan-3-ylsulfonyl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 153461415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).