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

C25H27FN6O — CID 25145503

IUPAC1-[4-[2-(3-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(c2ccc3nc(-c4cccc(F)c4)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C25H27FN6O/c1-25(2,33)17-30-12-14-31(15-13-30)22-7-6-21-28-23(19-4-3-5-20(26)16-19)24(32(21)29-22)18-8-10-27-11-9-18/h3-11,16,33H,12-15,17H2,1-2H3
InChIKeyCAOSILICSJUMRC-UHFFFAOYSA-N
MW446.53 g/mol
LogP3.49
Rot. Bonds5

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

1-[4-[2-(3-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol (PubChem CID 25145503) has the molecular formula C25H27FN6O and a molecular weight of 446.53 g/mol. Its IUPAC name is 1-[4-[2-(3-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[2-(3-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol
PubChem CID25145503
Molecular FormulaC25H27FN6O
Molecular Weight446.53 g/mol
Exact Mass446.22
IUPAC Name1-[4-[2-(3-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)CN1CCN(c2ccc3nc(-c4cccc(F)c4)c(-c4ccncc4)n3n2)CC1
InChIInChI=1S/C25H27FN6O/c1-25(2,33)17-30-12-14-31(15-13-30)22-7-6-21-28-23(19-4-3-5-20(26)16-19)24(32(21)29-22)18-8-10-27-11-9-18/h3-11,16,33H,12-15,17H2,1-2H3
InChIKeyCAOSILICSJUMRC-UHFFFAOYSA-N
XLogP3.49
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[2-(3-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol (CID 25145503) is 1-[4-[2-(3-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[2-(3-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[2-(3-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol is CC(C)(O)CN1CCN(c2ccc3nc(-c4cccc(F)c4)c(-c4ccncc4)n3n2)CC1.
What is the InChIKey of 1-[4-[2-(3-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol?
The InChIKey is CAOSILICSJUMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O/c1-25(2,33)17-30-12-14-31(15-13-30)22-7-6-21-28-23(19-4-3-5-20(26)16-19)24(32(21)29-22)18-8-10-27-11-9-18/h3-11,16,33H,12-15,17H2,1-2H3.
What are the key properties of 1-[4-[2-(3-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol?
1-[4-[2-(3-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol has a molecular weight of 446.53 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 25145503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).