2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol

C23H26N6OS — CID 46836319

IUPAC2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCN(c2ccc3nc(-c4ccsc4)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C23H26N6OS/c1-23(2,30)16-27-10-12-28(13-11-27)20-4-3-19-25-21(18-7-14-31-15-18)22(29(19)26-20)17-5-8-24-9-6-17/h3-9,14-15,30H,10-13,16H2,1-2H3
InChIKeyWNKGKMRUMAVWDJ-UHFFFAOYSA-N
MW434.57 g/mol
LogP3.41
Rot. Bonds5

About 2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol

2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol (PubChem CID 46836319) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is 2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol
PubChem CID46836319
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC Name2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol
SMILESCC(C)(O)CN1CCN(c2ccc3nc(-c4ccsc4)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C23H26N6OS/c1-23(2,30)16-27-10-12-28(13-11-27)20-4-3-19-25-21(18-7-14-31-15-18)22(29(19)26-20)17-5-8-24-9-6-17/h3-9,14-15,30H,10-13,16H2,1-2H3
InChIKeyWNKGKMRUMAVWDJ-UHFFFAOYSA-N
XLogP3.41
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 25145504
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine
CID 46836952
9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane
CID 46245022
6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 46197475
2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol
CID 68516909
2-(3-fluorophenyl)-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25145367
2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol
CID 25181723
2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 66698021
3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol
CID 155512835
2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144234
2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25143825
3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 57407086

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol (CID 46836319) is 2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol is CC(C)(O)CN1CCN(c2ccc3nc(-c4ccsc4)c(-c4ccncc4)n3n2)CC1.
What is the InChIKey of 2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol?
The InChIKey is WNKGKMRUMAVWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-23(2,30)16-27-10-12-28(13-11-27)20-4-3-19-25-21(18-7-14-31-15-18)22(29(19)26-20)17-5-8-24-9-6-17/h3-9,14-15,30H,10-13,16H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol?
2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 434.57 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 46836319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).