ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate

C23H24ClN3O5 — CID 153461526

IUPACethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CN2CCn3c(ccc(C(=O)NCc4ccc(Cl)cc4)c3=O)C2=O)CC1
InChIInChI=1S/C23H24ClN3O5/c1-2-32-22(31)23(9-10-23)14-26-11-12-27-18(21(26)30)8-7-17(20(27)29)19(28)25-13-15-3-5-16(24)6-4-15/h3-8H,2,9-14H2,1H3,(H,25,28)
InChIKeyIVGIJXBHEHBWES-UHFFFAOYSA-N
MW457.91 g/mol
LogP2.23
Rot. Bonds7

About ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate

ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate (PubChem CID 153461526) has the molecular formula C23H24ClN3O5 and a molecular weight of 457.91 g/mol. Its IUPAC name is ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate
PubChem CID153461526
Molecular FormulaC23H24ClN3O5
Molecular Weight457.91 g/mol
Exact Mass457.14
IUPAC Nameethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CN2CCn3c(ccc(C(=O)NCc4ccc(Cl)cc4)c3=O)C2=O)CC1
InChIInChI=1S/C23H24ClN3O5/c1-2-32-22(31)23(9-10-23)14-26-11-12-27-18(21(26)30)8-7-17(20(27)29)19(28)25-13-15-3-5-16(24)6-4-15/h3-8H,2,9-14H2,1H3,(H,25,28)
InChIKeyIVGIJXBHEHBWES-UHFFFAOYSA-N
XLogP2.23
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylic acid
CID 146441940
2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 157161218
2-[2-[acetyl(methyl)amino]ethyl]-N-[(4-chlorophenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 153461477
2-[(1-tert-butylsulfonylcyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 159614059
ethyl 1-[[[5-[(4-chlorophenyl)methylcarbamoyl]-1-(2-hydroxyethyl)-6-oxopyridine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate
CID 146442037
2-[[1-[(2R)-4-hydroxybutan-2-yl]sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 158001123
N-[(3-chloro-4-methylphenyl)methyl]-2-[[1-[(1S)-2,2-difluorocyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 160951589
N-[(4-cyanophenyl)methyl]-2-[[1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 153461401
2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 159219345
N-[(4-chlorophenyl)methyl]-2-[[1-(4-hydroxy-2-methylbutan-2-yl)sulfinylcyclopropyl]methyl]-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-6-carboxamide
CID 170974977
N-[(4-chlorophenyl)methyl]-2-[2-(ethylsulfonylamino)ethyl]-3-methyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 146442196
2-[(1-tert-butylsulfinylcyclopropyl)methyl]-N-[(4-chlorophenyl)methyl]-1-oxo-4,5-dihydro-3H-pyrrolo[1,2-a][1,4]diazepine-7-carboxamide
CID 170975183

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate (CID 153461526) is ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1(CN2CCn3c(ccc(C(=O)NCc4ccc(Cl)cc4)c3=O)C2=O)CC1.
What is the InChIKey of ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate?
The InChIKey is IVGIJXBHEHBWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5/c1-2-32-22(31)23(9-10-23)14-26-11-12-27-18(21(26)30)8-7-17(20(27)29)19(28)25-13-15-3-5-16(24)6-4-15/h3-8H,2,9-14H2,1H3,(H,25,28).
What are the key properties of ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate?
ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate has a molecular weight of 457.91 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 153461526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).