2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine

C21H20FN7 — CID 46197357

IUPAC2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncn4)n3n2)CC1
InChIInChI=1S/C21H20FN7/c1-27-10-12-28(13-11-27)19-7-6-18-25-20(15-2-4-16(22)5-3-15)21(29(18)26-19)17-8-9-23-14-24-17/h2-9,14H,10-13H2,1H3
InChIKeyJOPDDFZWMQEVHE-UHFFFAOYSA-N
MW389.44 g/mol
LogP2.74
Rot. Bonds3

About 2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine

2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 46197357) has the molecular formula C21H20FN7 and a molecular weight of 389.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine
PubChem CID46197357
Molecular FormulaC21H20FN7
Molecular Weight389.44 g/mol
Exact Mass389.18
IUPAC Name2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncn4)n3n2)CC1
InChIInChI=1S/C21H20FN7/c1-27-10-12-28(13-11-27)19-7-6-18-25-20(15-2-4-16(22)5-3-15)21(29(18)26-19)17-8-9-23-14-24-17/h2-9,14H,10-13H2,1H3
InChIKeyJOPDDFZWMQEVHE-UHFFFAOYSA-N
XLogP2.74
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25143825
1-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpyrrolidin-3-amine
CID 25144809
2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol
CID 25181723
1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine
CID 174611706
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-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144234
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
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazine
CID 25226802
6-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine
CID 67016727
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine (CID 46197357) is 2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine is CN1CCN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncn4)n3n2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is JOPDDFZWMQEVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7/c1-27-10-12-28(13-11-27)19-7-6-18-25-20(15-2-4-16(22)5-3-15)21(29(18)26-19)17-8-9-23-14-24-17/h2-9,14H,10-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine?
2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 389.44 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-3-pyrimidin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 46197357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).