1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol

C25H27FN6O — CID 25145504

IUPAC1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C25H27FN6O/c1-25(2,33)17-30-13-15-31(16-14-30)22-8-7-21-28-23(18-3-5-20(26)6-4-18)24(32(21)29-22)19-9-11-27-12-10-19/h3-12,33H,13-17H2,1-2H3
InChIKeySYPQIUGINHNOKI-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.49
Rot. Bonds5

About 1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol

1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 25145504) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is 1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID25145504
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC Name1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C25H27FN6O/c1-25(2,33)17-30-13-15-31(16-14-30)22-8-7-21-28-23(18-3-5-20(26)6-4-18)24(32(21)29-22)19-9-11-27-12-10-19/h3-12,33H,13-17H2,1-2H3
InChIKeySYPQIUGINHNOKI-UHFFFAOYSA-N
XLogP3.49
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol
CID 68516909
2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25143825
2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol
CID 25181723
1-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpyrrolidin-3-amine
CID 25144809
2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine
CID 46197357
2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144234
2-(3-fluorophenyl)-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25145367
6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazine
CID 91220235
6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 122175947
2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 68517521
6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine
CID 90978764

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol (CID 25145504) is 1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3n2)CC1.
What is the InChIKey of 1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is SYPQIUGINHNOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-25(2,33)17-30-13-15-31(16-14-30)22-8-7-21-28-23(18-3-5-20(26)6-4-18)24(32(21)29-22)19-9-11-27-12-10-19/h3-12,33H,13-17H2,1-2H3.
What are the key properties of 1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 446.53 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 25145504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).