[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol

C20H21F3N4O — CID 66598175

IUPAC[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)15-3-1-2-14(10-15)17-11-24-19-9-8-18(26-27(17)19)25-16-6-4-13(12-28)5-7-16/h1-3,8-11,13,16,28H,4-7,12H2,(H,25,26)
InChIKeyIWIBYPCOZGKMLR-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.38
Rot. Bonds4

About [4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol

[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol (PubChem CID 66598175) has the molecular formula C20H21F3N4O and a molecular weight of 390.41 g/mol. Its IUPAC name is [4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol
PubChem CID66598175
Molecular FormulaC20H21F3N4O
Molecular Weight390.41 g/mol
Exact Mass390.17
IUPAC Name[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1
InChIInChI=1S/C20H21F3N4O/c21-20(22,23)15-3-1-2-14(10-15)17-11-24-19-9-8-18(26-27(17)19)25-16-6-4-13(12-28)5-7-16/h1-3,8-11,13,16,28H,4-7,12H2,(H,25,26)
InChIKeyIWIBYPCOZGKMLR-UHFFFAOYSA-N
XLogP4.38
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol (CID 66598175) is [4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol is OCC1CCC(Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1.
What is the InChIKey of [4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol?
The InChIKey is IWIBYPCOZGKMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O/c21-20(22,23)15-3-1-2-14(10-15)17-11-24-19-9-8-18(26-27(17)19)25-16-6-4-13(12-28)5-7-16/h1-3,8-11,13,16,28H,4-7,12H2,(H,25,26).
What are the key properties of [4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol?
[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol has a molecular weight of 390.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 66598175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).