6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine

C26H27FN6 — CID 161331913

IUPAC6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine
SMILESFc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(N5CCNCC5)c4)n3n2)c1
InChIInChI=1S/C26H27FN6/c27-21-6-1-4-19(16-21)23-8-3-13-32(23)26-10-9-25-29-18-24(33(25)30-26)20-5-2-7-22(17-20)31-14-11-28-12-15-31/h1-2,4-7,9-10,16-18,23,28H,3,8,11-15H2/t23-/m1/s1
InChIKeyVLNKJHMVVOCMQI-HSZRJFAPSA-N
MW442.54 g/mol
LogP4.29
Rot. Bonds4

About 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine

6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine (PubChem CID 161331913) has the molecular formula C26H27FN6 and a molecular weight of 442.54 g/mol. Its IUPAC name is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine
PubChem CID161331913
Molecular FormulaC26H27FN6
Molecular Weight442.54 g/mol
Exact Mass442.23
IUPAC Name6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine
SMILESFc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(N5CCNCC5)c4)n3n2)c1
InChIInChI=1S/C26H27FN6/c27-21-6-1-4-19(16-21)23-8-3-13-32(23)26-10-9-25-29-18-24(33(25)30-26)20-5-2-7-22(17-20)31-14-11-28-12-15-31/h1-2,4-7,9-10,16-18,23,28H,3,8,11-15H2/t23-/m1/s1
InChIKeyVLNKJHMVVOCMQI-HSZRJFAPSA-N
XLogP4.29
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-fluorophenyl)-6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 162486125
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(2-piperidin-4-yloxypyrimidin-5-yl)imidazo[1,2-b]pyridazine
CID 58335889
3-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]quinoline
CID 58335793
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine
CID 58335544
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazine
CID 58335786
2-[[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-yl]amino]ethanol
CID 58335928
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 66684546
[5-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-methylphenyl]carbamic acid
CID 118158296
1-[6-[6-[2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrrolidine-3,4-diol
CID 76765226
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
CID 58335886
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl chloride
CID 86663106
6-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-(1H-pyrazol-5-yl)-2-pyridinyl]imidazo[1,2-b]pyridazine
CID 44519369

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine (CID 161331913) is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine is Fc1cccc([C@H]2CCCN2c2ccc3ncc(-c4cccc(N5CCNCC5)c4)n3n2)c1.
What is the InChIKey of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine?
The InChIKey is VLNKJHMVVOCMQI-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27FN6/c27-21-6-1-4-19(16-21)23-8-3-13-32(23)26-10-9-25-29-18-24(33(25)30-26)20-5-2-7-22(17-20)31-14-11-28-12-15-31/h1-2,4-7,9-10,16-18,23,28H,3,8,11-15H2/t23-/m1/s1.
What are the key properties of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine?
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine has a molecular weight of 442.54 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(3-piperazin-1-ylphenyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 161331913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).