2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol

C18H17F3N6OS — CID 178079413

IUPAC2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cc(Nc2ccc3ncc(-c4ccc(C(F)(F)F)s4)n3n2)cn1
InChIInChI=1S/C18H17F3N6OS/c1-17(2,28)10-26-9-11(7-23-26)24-15-5-6-16-22-8-12(27(16)25-15)13-3-4-14(29-13)18(19,20)21/h3-9,28H,10H2,1-2H3,(H,24,25)
InChIKeyLOFNSOCNPALPHZ-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.19
Rot. Bonds5

About 2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol

2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol (PubChem CID 178079413) has the molecular formula C18H17F3N6OS and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol
PubChem CID178079413
Molecular FormulaC18H17F3N6OS
Molecular Weight422.44 g/mol
Exact Mass422.11
IUPAC Name2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cc(Nc2ccc3ncc(-c4ccc(C(F)(F)F)s4)n3n2)cn1
InChIInChI=1S/C18H17F3N6OS/c1-17(2,28)10-26-9-11(7-23-26)24-15-5-6-16-22-8-12(27(16)25-15)13-3-4-14(29-13)18(19,20)21/h3-9,28H,10H2,1-2H3,(H,24,25)
InChIKeyLOFNSOCNPALPHZ-UHFFFAOYSA-N
XLogP4.19
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol (CID 178079413) is 2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol is CC(C)(O)Cn1cc(Nc2ccc3ncc(-c4ccc(C(F)(F)F)s4)n3n2)cn1.
What is the InChIKey of 2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol?
The InChIKey is LOFNSOCNPALPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6OS/c1-17(2,28)10-26-9-11(7-23-26)24-15-5-6-16-22-8-12(27(16)25-15)13-3-4-14(29-13)18(19,20)21/h3-9,28H,10H2,1-2H3,(H,24,25).
What are the key properties of 2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol?
2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol has a molecular weight of 422.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[[3-[5-(trifluoromethyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-6-yl]amino]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 178079413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).