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

C24H25FN6O — CID 68516909

IUPAC2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol
SMILESCC(C)(O)C1CN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3n2)CCN1
InChIInChI=1S/C24H25FN6O/c1-24(2,32)19-15-30(14-13-27-19)21-8-7-20-28-22(16-3-5-18(25)6-4-16)23(31(20)29-21)17-9-11-26-12-10-17/h3-12,19,27,32H,13-15H2,1-2H3
InChIKeyIXUFHJWFOHIMDX-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.15
Rot. Bonds4

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

2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol (PubChem CID 68516909) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol
PubChem CID68516909
Molecular FormulaC24H25FN6O
Molecular Weight432.50 g/mol
Exact Mass432.21
IUPAC Name2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol
SMILESCC(C)(O)C1CN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3n2)CCN1
InChIInChI=1S/C24H25FN6O/c1-24(2,32)19-15-30(14-13-27-19)21-8-7-20-28-22(16-3-5-18(25)6-4-16)23(31(20)29-21)17-9-11-26-12-10-17/h3-12,19,27,32H,13-15H2,1-2H3
InChIKeyIXUFHJWFOHIMDX-UHFFFAOYSA-N
XLogP3.15
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol (CID 68516909) is 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol is CC(C)(O)C1CN(c2ccc3nc(-c4ccc(F)cc4)c(-c4ccncc4)n3n2)CCN1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol?
The InChIKey is IXUFHJWFOHIMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-24(2,32)19-15-30(14-13-27-19)21-8-7-20-28-22(16-3-5-18(25)6-4-16)23(31(20)29-21)17-9-11-26-12-10-17/h3-12,19,27,32H,13-15H2,1-2H3.
What are the key properties of 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol?
2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol has a molecular weight of 432.50 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol is sourced from PubChem (CID 68516909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).