methyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate

C27H24N6O2 — CID 151036600

IUPACmethyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate
SMILESCOC(=O)c1nn2c(-c3ccnc4ccccc34)cnc2cc1-c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C27H24N6O2/c1-35-27(34)26-22(18-6-8-19(9-7-18)32-14-12-28-13-15-32)16-25-30-17-24(33(25)31-26)21-10-11-29-23-5-3-2-4-20(21)23/h2-11,16-17,28H,12-15H2,1H3
InChIKeyMBERYCOGKKQSFB-UHFFFAOYSA-N
MW464.53 g/mol
LogP3.81
Rot. Bonds4

About methyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate

methyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate (PubChem CID 151036600) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is methyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate
PubChem CID151036600
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC Namemethyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate
SMILESCOC(=O)c1nn2c(-c3ccnc4ccccc34)cnc2cc1-c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C27H24N6O2/c1-35-27(34)26-22(18-6-8-19(9-7-18)32-14-12-28-13-15-32)16-25-30-17-24(33(25)31-26)21-10-11-29-23-5-3-2-4-20(21)23/h2-11,16-17,28H,12-15H2,1H3
InChIKeyMBERYCOGKKQSFB-UHFFFAOYSA-N
XLogP3.81
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate 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 methyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate?
The IUPAC name of methyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate (CID 151036600) is methyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate.
What is the SMILES notation for methyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate?
The canonical SMILES for methyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate is COC(=O)c1nn2c(-c3ccnc4ccccc34)cnc2cc1-c1ccc(N2CCNCC2)cc1.
What is the InChIKey of methyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate?
The InChIKey is MBERYCOGKKQSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c1-35-27(34)26-22(18-6-8-19(9-7-18)32-14-12-28-13-15-32)16-25-30-17-24(33(25)31-26)21-10-11-29-23-5-3-2-4-20(21)23/h2-11,16-17,28H,12-15H2,1H3.
What are the key properties of methyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate?
methyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate has a molecular weight of 464.53 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(4-piperazin-1-ylphenyl)-3-quinolin-4-ylimidazo[1,2-b]pyridazine-6-carboxylate is sourced from PubChem (CID 151036600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).