3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile

C21H24N6O2 — CID 178039819

IUPAC3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile
SMILESCC(C)CC1C(=O)N(C)CCN1C(=O)c1cccc(-c2cnc(C#N)c(N)n2)c1
InChIInChI=1S/C21H24N6O2/c1-13(2)9-18-21(29)26(3)7-8-27(18)20(28)15-6-4-5-14(10-15)17-12-24-16(11-22)19(23)25-17/h4-6,10,12-13,18H,7-9H2,1-3H3,(H2,23,25)
InChIKeyJGNBIXATOPMBHF-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.93
Rot. Bonds4

About 3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile

3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile (PubChem CID 178039819) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile
PubChem CID178039819
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile
SMILESCC(C)CC1C(=O)N(C)CCN1C(=O)c1cccc(-c2cnc(C#N)c(N)n2)c1
InChIInChI=1S/C21H24N6O2/c1-13(2)9-18-21(29)26(3)7-8-27(18)20(28)15-6-4-5-14(10-15)17-12-24-16(11-22)19(23)25-17/h4-6,10,12-13,18H,7-9H2,1-3H3,(H2,23,25)
InChIKeyJGNBIXATOPMBHF-UHFFFAOYSA-N
XLogP1.93
TPSA116.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile 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

3-amino-6-[3-[4-ethyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile
CID 178039776
4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one
CID 178039942
4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one
CID 178039818
2-amino-5-[3-[4-methyl-3-oxo-2-[2-(trifluoromethoxy)ethyl]piperazine-1-carbonyl]phenyl]pyridine-3-carbonitrile
CID 178039714
4-[3-(6-amino-5-ethynyl-3-pyridinyl)benzoyl]-1-methyl-3-propylpiperazin-2-one
CID 178039903
3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one
CID 118774662
3-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 70741313
3-(6-amino-5-chloro-3-pyridinyl)-N-[2-[6-[1-[3-(6-amino-5-chloro-3-pyridinyl)benzoyl]-4-methyl-3-oxopiperazin-2-yl]hexylamino]ethyl]benzamide
CID 178039845
2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid
CID 110284310
4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70756865
1-ethyl-3-(2-methylpropyl)-4-[3-(4,4,5,5-tetraethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazin-2-one
CID 178039881
(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 96571377

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile?
The IUPAC name of 3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile (CID 178039819) is 3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile is CC(C)CC1C(=O)N(C)CCN1C(=O)c1cccc(-c2cnc(C#N)c(N)n2)c1.
What is the InChIKey of 3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile?
The InChIKey is JGNBIXATOPMBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13(2)9-18-21(29)26(3)7-8-27(18)20(28)15-6-4-5-14(10-15)17-12-24-16(11-22)19(23)25-17/h4-6,10,12-13,18H,7-9H2,1-3H3,(H2,23,25).
What are the key properties of 3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile?
3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile has a molecular weight of 392.46 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 178039819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).