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

C22H21FN6 — CID 68517521

IUPAC2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCC1CN(c2ccc3nc(-c4cccc(F)c4)c(-c4ccncc4)n3n2)CCN1
InChIInChI=1S/C22H21FN6/c1-15-14-28(12-11-25-15)20-6-5-19-26-21(17-3-2-4-18(23)13-17)22(29(19)27-20)16-7-9-24-10-8-16/h2-10,13,15,25H,11-12,14H2,1H3
InChIKeyUQUKUDNTGFXXQZ-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.40
Rot. Bonds3

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

2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 68517521) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID68517521
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCC1CN(c2ccc3nc(-c4cccc(F)c4)c(-c4ccncc4)n3n2)CCN1
InChIInChI=1S/C22H21FN6/c1-15-14-28(12-11-25-15)20-6-5-19-26-21(17-3-2-4-18(23)13-17)22(29(19)27-20)16-7-9-24-10-8-16/h2-10,13,15,25H,11-12,14H2,1H3
InChIKeyUQUKUDNTGFXXQZ-UHFFFAOYSA-N
XLogP3.40
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25143825
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
2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol
CID 68516909
1-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpyrrolidin-3-amine
CID 25144809
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 68514785
3-(2-chloro-4-pyridinyl)-2-cyclopropyl-6-(3-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 75076659
6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 68517110
3-[3-pyridin-4-yl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)imidazo[1,2-b]pyridazin-2-yl]phenol
CID 155512835
3-(2-methoxy-4-pyridinyl)-2-methyl-6-[(3S)-3-methylpiperazin-1-yl]imidazo[1,2-b]pyridazine
CID 44818212
2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 66698021
1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 25145504

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 68517521) is 2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is CC1CN(c2ccc3nc(-c4cccc(F)c4)c(-c4ccncc4)n3n2)CCN1.
What is the InChIKey of 2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is UQUKUDNTGFXXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c1-15-14-28(12-11-25-15)20-6-5-19-26-21(17-3-2-4-18(23)13-17)22(29(19)27-20)16-7-9-24-10-8-16/h2-10,13,15,25H,11-12,14H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 388.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 68517521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).