[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol

C21H15F3N6O — CID 68639321

IUPAC[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol
SMILESCn1cc(-c2ccc3ncc(C(O)c4cc5cccnc5cc4C(F)(F)F)n3n2)cn1
InChIInChI=1S/C21H15F3N6O/c1-29-11-13(9-27-29)16-4-5-19-26-10-18(30(19)28-16)20(31)14-7-12-3-2-6-25-17(12)8-15(14)21(22,23)24/h2-11,20,31H,1H3
InChIKeyKNYYGIURBAAZMG-UHFFFAOYSA-N
MW424.39 g/mol
LogP3.78
Rot. Bonds3

About [6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol

[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol (PubChem CID 68639321) has the molecular formula C21H15F3N6O and a molecular weight of 424.39 g/mol. Its IUPAC name is [6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol.

Molecular Properties

Compound Name[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol
PubChem CID68639321
Molecular FormulaC21H15F3N6O
Molecular Weight424.39 g/mol
Exact Mass424.13
IUPAC Name[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol
SMILESCn1cc(-c2ccc3ncc(C(O)c4cc5cccnc5cc4C(F)(F)F)n3n2)cn1
InChIInChI=1S/C21H15F3N6O/c1-29-11-13(9-27-29)16-4-5-19-26-10-18(30(19)28-16)20(31)14-7-12-3-2-6-25-17(12)8-15(14)21(22,23)24/h2-11,20,31H,1H3
InChIKeyKNYYGIURBAAZMG-UHFFFAOYSA-N
XLogP3.78
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol?
The IUPAC name of [6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol (CID 68639321) is [6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol.
What is the SMILES notation for [6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol?
The canonical SMILES for [6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol is Cn1cc(-c2ccc3ncc(C(O)c4cc5cccnc5cc4C(F)(F)F)n3n2)cn1.
What is the InChIKey of [6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol?
The InChIKey is KNYYGIURBAAZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O/c1-29-11-13(9-27-29)16-4-5-19-26-10-18(30(19)28-16)20(31)14-7-12-3-2-6-25-17(12)8-15(14)21(22,23)24/h2-11,20,31H,1H3.
What are the key properties of [6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol?
[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol has a molecular weight of 424.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]-[7-(trifluoromethyl)quinolin-6-yl]methanol is sourced from PubChem (CID 68639321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).