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

C23H25ClN4O5S — CID 146442121

IUPACN-[(4-chlorophenyl)methyl]-2-[[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2n(c1=O)CCN(CC1(N3CCCS3(=O)=O)CC1)C2=O
InChIInChI=1S/C23H25ClN4O5S/c24-17-4-2-16(3-5-17)14-25-20(29)18-6-7-19-22(31)26(11-12-27(19)21(18)30)15-23(8-9-23)28-10-1-13-34(28,32)33/h2-7H,1,8-15H2,(H,25,29)
InChIKeyCEQCHHNJWJNNNZ-UHFFFAOYSA-N
MW505.00 g/mol
LogP1.46
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-2-[[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (PubChem CID 146442121) has the molecular formula C23H25ClN4O5S and a molecular weight of 505.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
PubChem CID146442121
Molecular FormulaC23H25ClN4O5S
Molecular Weight505.00 g/mol
Exact Mass504.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc2n(c1=O)CCN(CC1(N3CCCS3(=O)=O)CC1)C2=O
InChIInChI=1S/C23H25ClN4O5S/c24-17-4-2-16(3-5-17)14-25-20(29)18-6-7-19-22(31)26(11-12-27(19)21(18)30)15-23(8-9-23)28-10-1-13-34(28,32)33/h2-7H,1,8-15H2,(H,25,29)
InChIKeyCEQCHHNJWJNNNZ-UHFFFAOYSA-N
XLogP1.46
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.00
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-chlorophenyl)methyl]-2-[[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide (CID 146442121) is N-[(4-chlorophenyl)methyl]-2-[[1-(1,1-dioxo-1,2-thiazolidin-2-yl)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-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[1-(1,1-dioxo-1,2-thiazolidin-2-yl)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(N3CCCS3(=O)=O)CC1)C2=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
The InChIKey is CEQCHHNJWJNNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O5S/c24-17-4-2-16(3-5-17)14-25-20(29)18-6-7-19-22(31)26(11-12-27(19)21(18)30)15-23(8-9-23)28-10-1-13-34(28,32)33/h2-7H,1,8-15H2,(H,25,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide has a molecular weight of 505.00 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[1-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide is sourced from PubChem (CID 146442121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).