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8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene

C23H22F3N5O2 — CID 157032652

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene
SMILESCOc1ncc(-c2cc(C3CC3)c3nccn3n2)c(OC)n1.Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H15N5O2.C8H7F3/c1-21-14-11(8-17-15(18-14)22-2)12-7-10(9-3-4-9)13-16-5-6-20(13)19-12;1-6-4-2-3-5-7(6)8(9,10)11/h5-9H,3-4H2,1-2H3;2-5H,1H3
InChIKeyLFXXIIYTHDMVMI-UHFFFAOYSA-N
MW457.46 g/mol
LogP5.09
Rot. Bonds4

About 8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene

8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene (PubChem CID 157032652) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is 8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene
PubChem CID157032652
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC Name8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene
SMILESCOc1ncc(-c2cc(C3CC3)c3nccn3n2)c(OC)n1.Cc1ccccc1C(F)(F)F
InChIInChI=1S/C15H15N5O2.C8H7F3/c1-21-14-11(8-17-15(18-14)22-2)12-7-10(9-3-4-9)13-16-5-6-20(13)19-12;1-6-4-2-3-5-7(6)8(9,10)11/h5-9H,3-4H2,1-2H3;2-5H,1H3
InChIKeyLFXXIIYTHDMVMI-UHFFFAOYSA-N
XLogP5.09
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.46
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene (CID 157032652) is 8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene is COc1ncc(-c2cc(C3CC3)c3nccn3n2)c(OC)n1.Cc1ccccc1C(F)(F)F.
What is the InChIKey of 8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene?
The InChIKey is LFXXIIYTHDMVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2.C8H7F3/c1-21-14-11(8-17-15(18-14)22-2)12-7-10(9-3-4-9)13-16-5-6-20(13)19-12;1-6-4-2-3-5-7(6)8(9,10)11/h5-9H,3-4H2,1-2H3;2-5H,1H3.
What are the key properties of 8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene?
8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene has a molecular weight of 457.46 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-b]pyridazine;1-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 157032652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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