2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol

C23H22FN7O — CID 25227356

IUPAC2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
SMILESOCCN1CC2CC1CN2c1ccc2nc(-c3ccc(F)cc3)c(-c3ccnnc3)n2n1
InChIInChI=1S/C23H22FN7O/c24-17-3-1-15(2-4-17)22-23(16-7-8-25-26-12-16)31-20(27-22)5-6-21(28-31)30-14-18-11-19(30)13-29(18)9-10-32/h1-8,12,18-19,32H,9-11,13-14H2
InChIKeyADBCUVVLCVPTCA-UHFFFAOYSA-N
MW431.48 g/mol
LogP2.25
Rot. Bonds5

About 2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol

2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol (PubChem CID 25227356) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is 2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
PubChem CID25227356
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC Name2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol
SMILESOCCN1CC2CC1CN2c1ccc2nc(-c3ccc(F)cc3)c(-c3ccnnc3)n2n1
InChIInChI=1S/C23H22FN7O/c24-17-3-1-15(2-4-17)22-23(16-7-8-25-26-12-16)31-20(27-22)5-6-21(28-31)30-14-18-11-19(30)13-29(18)9-10-32/h1-8,12,18-19,32H,9-11,13-14H2
InChIKeyADBCUVVLCVPTCA-UHFFFAOYSA-N
XLogP2.25
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol with MolForge

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Related Compounds

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
2-(4-fluorophenyl)-3-pyridazin-4-yl-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)imidazo[1,2-b]pyridazine
CID 25226991
6-(3,4,8,8a-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazine
CID 91220235
2-[4-[2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanol
CID 25181723
2-(4-fluorophenyl)-8-methyl-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 68516255
2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25143825
2-[(3aR,6aS)-5-[2-(4-fluorophenyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-6-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]ethanol
CID 67016533
1-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpyrrolidin-3-amine
CID 25144809
11-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,9-diazaspiro[5.5]undecane
CID 91434387
2-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-2-yl]propan-2-ol
CID 68516909
1-[4-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]-2-methylpropan-2-ol
CID 25145504
8-(4-fluorophenyl)-6-[(1S,4S)-5-propan-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridazin-4-ylimidazo[1,2-b]pyridazine
CID 90850246

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol?
The IUPAC name of 2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol (CID 25227356) is 2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol.
What is the SMILES notation for 2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol?
The canonical SMILES for 2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol is OCCN1CC2CC1CN2c1ccc2nc(-c3ccc(F)cc3)c(-c3ccnnc3)n2n1.
What is the InChIKey of 2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol?
The InChIKey is ADBCUVVLCVPTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c24-17-3-1-15(2-4-17)22-23(16-7-8-25-26-12-16)31-20(27-22)5-6-21(28-31)30-14-18-11-19(30)13-29(18)9-10-32/h1-8,12,18-19,32H,9-11,13-14H2.
What are the key properties of 2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol?
2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol has a molecular weight of 431.48 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazin-6-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethanol is sourced from PubChem (CID 25227356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).