2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine

C23H22F2N6 — CID 25144234

IUPAC2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESC[C@@H]1CN(c2ccc3nc(-c4cc(F)cc(F)c4)c(-c4ccncc4)n3n2)C[C@H](C)N1
InChIInChI=1S/C23H22F2N6/c1-14-12-30(13-15(2)27-14)21-4-3-20-28-22(17-9-18(24)11-19(25)10-17)23(31(20)29-21)16-5-7-26-8-6-16/h3-11,14-15,27H,12-13H2,1-2H3/t14-,15+
InChIKeyKXUSJDSXAMZFRZ-GASCZTMLSA-N
MW420.47 g/mol
LogP3.92
Rot. Bonds3

About 2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine

2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 25144234) has the molecular formula C23H22F2N6 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID25144234
Molecular FormulaC23H22F2N6
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESC[C@@H]1CN(c2ccc3nc(-c4cc(F)cc(F)c4)c(-c4ccncc4)n3n2)C[C@H](C)N1
InChIInChI=1S/C23H22F2N6/c1-14-12-30(13-15(2)27-14)21-4-3-20-28-22(17-9-18(24)11-19(25)10-17)23(31(20)29-21)16-5-7-26-8-6-16/h3-11,14-15,27H,12-13H2,1-2H3/t14-,15+
InChIKeyKXUSJDSXAMZFRZ-GASCZTMLSA-N
XLogP3.92
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluorophenyl)-6-(3-methylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 68517521
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
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
2-(3-fluorophenyl)-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25145367
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-(3,5-dimethylpiperazin-1-yl)-2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazine
CID 67016727
2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol
CID 68516909
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
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-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine
CID 68519598
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

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 25144234) is 2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine is C[C@@H]1CN(c2ccc3nc(-c4cc(F)cc(F)c4)c(-c4ccncc4)n3n2)C[C@H](C)N1.
What is the InChIKey of 2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is KXUSJDSXAMZFRZ-GASCZTMLSA-N. The full InChI is InChI=1S/C23H22F2N6/c1-14-12-30(13-15(2)27-14)21-4-3-20-28-22(17-9-18(24)11-19(25)10-17)23(31(20)29-21)16-5-7-26-8-6-16/h3-11,14-15,27H,12-13H2,1-2H3/t14-,15+.
What are the key properties of 2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 420.47 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 25144234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).