2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine

C21H31N5O — CID 139654548

IUPAC2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine
SMILESCCc1ncc(OCCCCN2CCN(c3ccccn3)CC2)nc1CC
InChIInChI=1S/C21H31N5O/c1-3-18-19(4-2)24-21(17-23-18)27-16-8-7-11-25-12-14-26(15-13-25)20-9-5-6-10-22-20/h5-6,9-10,17H,3-4,7-8,11-16H2,1-2H3
InChIKeyUJUBONMKRPSHIX-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.98
Rot. Bonds9

About 2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine

2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine (PubChem CID 139654548) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine.

Molecular Properties

Compound Name2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine
PubChem CID139654548
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine
SMILESCCc1ncc(OCCCCN2CCN(c3ccccn3)CC2)nc1CC
InChIInChI=1S/C21H31N5O/c1-3-18-19(4-2)24-21(17-23-18)27-16-8-7-11-25-12-14-26(15-13-25)20-9-5-6-10-22-20/h5-6,9-10,17H,3-4,7-8,11-16H2,1-2H3
InChIKeyUJUBONMKRPSHIX-UHFFFAOYSA-N
XLogP2.98
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine 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

1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
1-(2-ethoxyethyl)-4-pyridin-2-yl-1,4-diazepane
CID 75506679
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 62569653
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
2,3-dimethyl-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrazine
CID 139654545
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86924247
5-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]isoquinoline;trihydrochloride
CID 21276129
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine?
The IUPAC name of 2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine (CID 139654548) is 2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine.
What is the SMILES notation for 2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine?
The canonical SMILES for 2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine is CCc1ncc(OCCCCN2CCN(c3ccccn3)CC2)nc1CC.
What is the InChIKey of 2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine?
The InChIKey is UJUBONMKRPSHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-3-18-19(4-2)24-21(17-23-18)27-16-8-7-11-25-12-14-26(15-13-25)20-9-5-6-10-22-20/h5-6,9-10,17H,3-4,7-8,11-16H2,1-2H3.
What are the key properties of 2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine?
2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine has a molecular weight of 369.51 g/mol, XLogP of 2.98, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butoxy]pyrazine is sourced from PubChem (CID 139654548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).