(E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide

C17H22N6O2 — CID 122705542

IUPAC(E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
SMILESCCCC(=O)N1CCN(c2cnc3[nH]cc(/C=C/C(N)=O)c3n2)CC1
InChIInChI=1S/C17H22N6O2/c1-2-3-15(25)23-8-6-22(7-9-23)14-11-20-17-16(21-14)12(10-19-17)4-5-13(18)24/h4-5,10-11H,2-3,6-9H2,1H3,(H2,18,24)(H,19,20)/b5-4+
InChIKeyLAMJCQVYQFFANR-SNAWJCMRSA-N
MW342.40 g/mol
LogP0.91
Rot. Bonds5

About (E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide

(E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide (PubChem CID 122705542) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
PubChem CID122705542
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
SMILESCCCC(=O)N1CCN(c2cnc3[nH]cc(/C=C/C(N)=O)c3n2)CC1
InChIInChI=1S/C17H22N6O2/c1-2-3-15(25)23-8-6-22(7-9-23)14-11-20-17-16(21-14)12(10-19-17)4-5-13(18)24/h4-5,10-11H,2-3,6-9H2,1H3,(H2,18,24)(H,19,20)/b5-4+
InChIKeyLAMJCQVYQFFANR-SNAWJCMRSA-N
XLogP0.91
TPSA108.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide 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

ethyl 4-[7-[(E)-3-amino-3-oxoprop-1-enyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]piperazine-1-carboxylate
CID 122705515
2,2-dimethylpropyl 4-[7-[(E)-3-amino-3-oxoprop-1-enyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]piperazine-1-carboxylate
CID 118267353
(E)-3-[2-[4-[4-(trifluoromethyl)cyclohexanecarbonyl]piperazin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267673
(E)-3-[2-[4-[(1R,3S)-3-(trifluoromethyl)cyclopentanecarbonyl]piperazin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 118267672
(E)-3-[5-[4-(3-hydroxybutanoyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118267975
tert-butyl 4-[7-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]piperazine-1-carboxylate
CID 122697128
(E)-3-[2-(4-ethylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 144894358
(E)-3-[5-[4-[(1R,3S)-3-methylcyclopentanecarbonyl]piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 122705577
3-[2-(4-acetylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropanal
CID 87522008
(4R)-5-methoxy-4-methyl-1-[2-(4-prop-2-enoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pentan-1-one
CID 145183140
(E)-3-[5-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enamide
CID 118267720
(E)-3-[2-(2-ethoxy-6-methyl-4-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide
CID 122705521

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The IUPAC name of (E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide (CID 122705542) is (E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide is CCCC(=O)N1CCN(c2cnc3[nH]cc(/C=C/C(N)=O)c3n2)CC1.
What is the InChIKey of (E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
The InChIKey is LAMJCQVYQFFANR-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-2-3-15(25)23-8-6-22(7-9-23)14-11-20-17-16(21-14)12(10-19-17)4-5-13(18)24/h4-5,10-11H,2-3,6-9H2,1H3,(H2,18,24)(H,19,20)/b5-4+.
What are the key properties of (E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide?
(E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide has a molecular weight of 342.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-butanoylpiperazin-1-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]prop-2-enamide is sourced from PubChem (CID 122705542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).