4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine

C30H28N8O — CID 86582454

IUPAC4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESC(#Cc1nc2c(N3CCOCC3)ccnn2c1-c1ccc(N2CCNCC2)nc1)c1ccc2ccccc2n1
InChIInChI=1S/C30H28N8O/c1-2-4-25-22(3-1)5-7-24(34-25)8-9-26-29(23-6-10-28(32-21-23)37-15-13-31-14-16-37)38-30(35-26)27(11-12-33-38)36-17-19-39-20-18-36/h1-7,10-12,21,31H,13-20H2
InChIKeyFMNJHXYIMRMMCL-UHFFFAOYSA-N
MW516.61 g/mol
LogP2.99
Rot. Bonds3

About 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine

4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine (PubChem CID 86582454) has the molecular formula C30H28N8O and a molecular weight of 516.61 g/mol. Its IUPAC name is 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
PubChem CID86582454
Molecular FormulaC30H28N8O
Molecular Weight516.61 g/mol
Exact Mass516.24
IUPAC Name4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine
SMILESC(#Cc1nc2c(N3CCOCC3)ccnn2c1-c1ccc(N2CCNCC2)nc1)c1ccc2ccccc2n1
InChIInChI=1S/C30H28N8O/c1-2-4-25-22(3-1)5-7-24(34-25)8-9-26-29(23-6-10-28(32-21-23)37-15-13-31-14-16-37)38-30(35-26)27(11-12-33-38)36-17-19-39-20-18-36/h1-7,10-12,21,31H,13-20H2
InChIKeyFMNJHXYIMRMMCL-UHFFFAOYSA-N
XLogP2.99
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.61
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
The IUPAC name of 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine (CID 86582454) is 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine.
What is the SMILES notation for 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
The canonical SMILES for 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine is C(#Cc1nc2c(N3CCOCC3)ccnn2c1-c1ccc(N2CCNCC2)nc1)c1ccc2ccccc2n1.
What is the InChIKey of 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
The InChIKey is FMNJHXYIMRMMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N8O/c1-2-4-25-22(3-1)5-7-24(34-25)8-9-26-29(23-6-10-28(32-21-23)37-15-13-31-14-16-37)38-30(35-26)27(11-12-33-38)36-17-19-39-20-18-36/h1-7,10-12,21,31H,13-20H2.
What are the key properties of 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine?
4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine has a molecular weight of 516.61 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethynyl)imidazo[1,2-b]pyridazin-8-yl]morpholine is sourced from PubChem (CID 86582454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).