1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol

C20H22F3N5O2 — CID 66598069

IUPAC1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol
SMILESCN1CCC(O)(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C20H22F3N5O2/c1-27-9-7-19(29,8-10-27)13-25-17-5-6-18-24-12-16(28(18)26-17)14-3-2-4-15(11-14)30-20(21,22)23/h2-6,11-12,29H,7-10,13H2,1H3,(H,25,26)
InChIKeyQQFUESRSGGYZDE-UHFFFAOYSA-N
MW421.42 g/mol
LogP3.16
Rot. Bonds5

About 1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol

1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol (PubChem CID 66598069) has the molecular formula C20H22F3N5O2 and a molecular weight of 421.42 g/mol. Its IUPAC name is 1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol
PubChem CID66598069
Molecular FormulaC20H22F3N5O2
Molecular Weight421.42 g/mol
Exact Mass421.17
IUPAC Name1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol
SMILESCN1CCC(O)(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C20H22F3N5O2/c1-27-9-7-19(29,8-10-27)13-25-17-5-6-18-24-12-16(28(18)26-17)14-3-2-4-15(11-14)30-20(21,22)23/h2-6,11-12,29H,7-10,13H2,1H3,(H,25,26)
InChIKeyQQFUESRSGGYZDE-UHFFFAOYSA-N
XLogP3.16
TPSA74.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol?
The IUPAC name of 1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol (CID 66598069) is 1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol.
What is the SMILES notation for 1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol?
The canonical SMILES for 1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol is CN1CCC(O)(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.
What is the InChIKey of 1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol?
The InChIKey is QQFUESRSGGYZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N5O2/c1-27-9-7-19(29,8-10-27)13-25-17-5-6-18-24-12-16(28(18)26-17)14-3-2-4-15(11-14)30-20(21,22)23/h2-6,11-12,29H,7-10,13H2,1H3,(H,25,26).
What are the key properties of 1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol?
1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol has a molecular weight of 421.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-4-ol is sourced from PubChem (CID 66598069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).