2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate

C24H33N3O7S — CID 167349958

IUPAC2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate
SMILESCC(=O)c1ccc2n(c1=O)CCN(CC1(S(=O)(=O)C3CCN(C(=O)OCC(C)(C)C)C3)CC1)C2=O
InChIInChI=1S/C24H33N3O7S/c1-16(28)18-5-6-19-21(30)26(11-12-27(19)20(18)29)14-24(8-9-24)35(32,33)17-7-10-25(13-17)22(31)34-15-23(2,3)4/h5-6,17H,7-15H2,1-4H3
InChIKeyPQBZRDLCQNIDQD-UHFFFAOYSA-N
MW507.61 g/mol
LogP1.71
Rot. Bonds6

About 2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate

2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate (PubChem CID 167349958) has the molecular formula C24H33N3O7S and a molecular weight of 507.61 g/mol. Its IUPAC name is 2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate
PubChem CID167349958
Molecular FormulaC24H33N3O7S
Molecular Weight507.61 g/mol
Exact Mass507.20
IUPAC Name2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate
SMILESCC(=O)c1ccc2n(c1=O)CCN(CC1(S(=O)(=O)C3CCN(C(=O)OCC(C)(C)C)C3)CC1)C2=O
InChIInChI=1S/C24H33N3O7S/c1-16(28)18-5-6-19-21(30)26(11-12-27(19)20(18)29)14-24(8-9-24)35(32,33)17-7-10-25(13-17)22(31)34-15-23(2,3)4/h5-6,17H,7-15H2,1-4H3
InChIKeyPQBZRDLCQNIDQD-UHFFFAOYSA-N
XLogP1.71
TPSA123.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.61
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[1-(aminomethyl)cyclopropyl]sulfonylpyrrolidine-1-carboxylate
CID 155894661
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-[[1-(1-amino-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide;bis(2-[[1-(1-hydroxy-2-methylpropan-2-yl)sulfonylcyclopropyl]methyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide);bis(N-[(4-methylphenyl)methyl]-2-[[1-[2-(1,2,4-oxadiazol-5-yl)propan-2-ylsulfonyl]cyclopropyl]methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide)
CID 158542352
2-[(1-methoxycyclopropyl)methyl]-N-[(4-methylphenyl)methyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxamide
CID 157161218
tert-butyl (3S)-3-(methylsulfonimidoyl)pyrrolidine-1-carboxylate
CID 125499804
2,2-dimethylpropyl (1S,6R)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
CID 125117212
2,2-dimethylpropyl (1S,6S)-3,8-diazabicyclo[4.2.0]octane-3-carboxylate
CID 125117214
1-[[7-[(4-chlorophenyl)methylcarbamoyl]-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl]methyl]cyclopropane-1-carboxylic acid
CID 146441940
2,2-dimethylpropyl (3R,4S)-3-[4-carbamoyl-3-(4-fluoroanilino)pyrazol-1-yl]-4-cyanopiperidine-1-carboxylate
CID 90343418
benzyl (3R)-3-[(5-ethylthiophen-2-yl)methylsulfamoyl]pyrrolidine-1-carboxylate
CID 124736213
2,2-dimethylpropyl 3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 50983601
tert-butyl 3-[[tert-butyl(diphenyl)silyl]sulfamoyl]pyrrolidine-1-carboxylate
CID 154660373

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate?
The IUPAC name of 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) is 2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate.
What is the SMILES notation for 2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate?
The canonical SMILES for 2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate is CC(=O)c1ccc2n(c1=O)CCN(CC1(S(=O)(=O)C3CCN(C(=O)OCC(C)(C)C)C3)CC1)C2=O.
What is the InChIKey of 2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate?
The InChIKey is PQBZRDLCQNIDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O7S/c1-16(28)18-5-6-19-21(30)26(11-12-27(19)20(18)29)14-24(8-9-24)35(32,33)17-7-10-25(13-17)22(31)34-15-23(2,3)4/h5-6,17H,7-15H2,1-4H3.
What are the key properties of 2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate?
2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate has a molecular weight of 507.61 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl 3-[1-[(7-acetyl-1,6-dioxo-3,4-dihydropyrido[1,2-a]pyrazin-2-yl)methyl]cyclopropyl]sulfonylpyrrolidine-1-carboxylate is sourced from PubChem (CID 167349958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).