2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine

C20H24F3N5O — CID 135390512

IUPAC2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine
SMILESCc1cc(-c2ccnn3cc(C(F)(F)F)nc23)cnc1OCC(C)(N)CC(C)C
InChIInChI=1S/C20H24F3N5O/c1-12(2)8-19(4,24)11-29-18-13(3)7-14(9-25-18)15-5-6-26-28-10-16(20(21,22)23)27-17(15)28/h5-7,9-10,12H,8,11,24H2,1-4H3
InChIKeySXPPKWGLRCJBEG-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.26
Rot. Bonds6

About 2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine

2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine (PubChem CID 135390512) has the molecular formula C20H24F3N5O and a molecular weight of 407.44 g/mol. Its IUPAC name is 2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine.

Molecular Properties

Compound Name2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine
PubChem CID135390512
Molecular FormulaC20H24F3N5O
Molecular Weight407.44 g/mol
Exact Mass407.19
IUPAC Name2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine
SMILESCc1cc(-c2ccnn3cc(C(F)(F)F)nc23)cnc1OCC(C)(N)CC(C)C
InChIInChI=1S/C20H24F3N5O/c1-12(2)8-19(4,24)11-29-18-13(3)7-14(9-25-18)15-5-6-26-28-10-16(20(21,22)23)27-17(15)28/h5-7,9-10,12H,8,11,24H2,1-4H3
InChIKeySXPPKWGLRCJBEG-UHFFFAOYSA-N
XLogP4.26
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine?
The IUPAC name of 2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine (CID 135390512) is 2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine.
What is the SMILES notation for 2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine?
The canonical SMILES for 2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine is Cc1cc(-c2ccnn3cc(C(F)(F)F)nc23)cnc1OCC(C)(N)CC(C)C.
What is the InChIKey of 2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine?
The InChIKey is SXPPKWGLRCJBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O/c1-12(2)8-19(4,24)11-29-18-13(3)7-14(9-25-18)15-5-6-26-28-10-16(20(21,22)23)27-17(15)28/h5-7,9-10,12H,8,11,24H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine?
2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine has a molecular weight of 407.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[[3-methyl-5-[2-(trifluoromethyl)imidazo[1,2-b]pyridazin-8-yl]-2-pyridinyl]oxy]pentan-2-amine is sourced from PubChem (CID 135390512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).