1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

C24H26N2O7S — CID 146441811

IUPAC1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)c1ccc2n(c1=O)CCN(CC1(S(=O)(=O)C3(COCc4ccccc4)CC3)CC1)C2=O
InChIInChI=1S/C24H26N2O7S/c27-20-18(22(29)30)6-7-19-21(28)25(12-13-26(19)20)15-23(8-9-23)34(31,32)24(10-11-24)16-33-14-17-4-2-1-3-5-17/h1-7H,8-16H2,(H,29,30)
InChIKeyMOZVYZOZINHWAG-UHFFFAOYSA-N
MW486.55 g/mol
LogP1.70
Rot. Bonds9

About 1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid (PubChem CID 146441811) has the molecular formula C24H26N2O7S and a molecular weight of 486.55 g/mol. Its IUPAC name is 1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
PubChem CID146441811
Molecular FormulaC24H26N2O7S
Molecular Weight486.55 g/mol
Exact Mass486.15
IUPAC Name1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
SMILESO=C(O)c1ccc2n(c1=O)CCN(CC1(S(=O)(=O)C3(COCc4ccccc4)CC3)CC1)C2=O
InChIInChI=1S/C24H26N2O7S/c27-20-18(22(29)30)6-7-19-21(28)25(12-13-26(19)20)15-23(8-9-23)34(31,32)24(10-11-24)16-33-14-17-4-2-1-3-5-17/h1-7H,8-16H2,(H,29,30)
InChIKeyMOZVYZOZINHWAG-UHFFFAOYSA-N
XLogP1.70
TPSA122.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-[(1-cyanocyclopropyl)methylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 146441925
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
[1-[1-(methoxymethyl)cyclopropyl]sulfonylcyclopropyl]methoxymethylbenzene
CID 146442043
1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropane-1-carbaldehyde
CID 153461531
2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate
CID 167349958
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
2-[1-(phenylmethoxymethyl)cyclopropyl]acetic acid
CID 65496133
2-(2-cyclopropylsulfonylethyl)-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 159219345
4-ethoxycarbonyl-4-(phenylmethoxymethyl)piperidine-1-carboxylic acid
CID 154035201
6-[hydroxy(methoxy)methyl]-2-oxo-1-phenylmethoxypyridine-3-carboxylic acid
CID 135210628
2-benzyl-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 90300083
6-[[1-[1-(2-aminoethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-N-[(4-chlorophenyl)methyl]-7-oxo-4,5-dihydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 176799459

Frequently Asked Questions

What is the IUPAC name of 1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The IUPAC name of 1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid (CID 146441811) is 1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid.
What is the SMILES notation for 1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The canonical SMILES for 1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid is O=C(O)c1ccc2n(c1=O)CCN(CC1(S(=O)(=O)C3(COCc4ccccc4)CC3)CC1)C2=O.
What is the InChIKey of 1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
The InChIKey is MOZVYZOZINHWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O7S/c27-20-18(22(29)30)6-7-19-21(28)25(12-13-26(19)20)15-23(8-9-23)34(31,32)24(10-11-24)16-33-14-17-4-2-1-3-5-17/h1-7H,8-16H2,(H,29,30).
What are the key properties of 1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid?
1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid has a molecular weight of 486.55 g/mol, XLogP of 1.70, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dioxo-2-[[1-[1-(phenylmethoxymethyl)cyclopropyl]sulfonylcyclopropyl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid is sourced from PubChem (CID 146441811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).