5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol

C14H12F3N5O3S — CID 137315699

IUPAC5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol
SMILESCCS(=O)(=O)c1cc(O)cnc1-c1nc2cc(C(F)(F)F)nnc2n1C
InChIInChI=1S/C14H12F3N5O3S/c1-3-26(24,25)9-4-7(23)6-18-11(9)13-19-8-5-10(14(15,16)17)20-21-12(8)22(13)2/h4-6,23H,3H2,1-2H3
InChIKeyURZATDQDMITTIT-UHFFFAOYSA-N
MW387.34 g/mol
LogP1.94
Rot. Bonds3

About 5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol

5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol (PubChem CID 137315699) has the molecular formula C14H12F3N5O3S and a molecular weight of 387.34 g/mol. Its IUPAC name is 5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol
PubChem CID137315699
Molecular FormulaC14H12F3N5O3S
Molecular Weight387.34 g/mol
Exact Mass387.06
IUPAC Name5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol
SMILESCCS(=O)(=O)c1cc(O)cnc1-c1nc2cc(C(F)(F)F)nnc2n1C
InChIInChI=1S/C14H12F3N5O3S/c1-3-26(24,25)9-4-7(23)6-18-11(9)13-19-8-5-10(14(15,16)17)20-21-12(8)22(13)2/h4-6,23H,3H2,1-2H3
InChIKeyURZATDQDMITTIT-UHFFFAOYSA-N
XLogP1.94
TPSA110.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(Difluoromethoxy)-3-ethylsulfonyl-2-pyridyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 117814335
2-(3-Ethylsulfonylpyridin-2-yl)-3-methyl-6-(trifluoromethoxy)imidazo[4,5-b]pyridine
CID 118584490
2-[5-(Difluoromethoxy)-3-ethylsulfinyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 123197728
2-[3-Ethylsulfonyl-5-(2-methylsulfanylethoxy)pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135368093
2-[3-Ethylsulfonyl-5-[(2-methylpropan-2-yl)oxy]pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135368132
2-[3-Ethylsulfonyl-5-(3-methylsulfanylpropoxy)pyridin-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135368783
6-[3-Ethylsulfonyl-5-(2-methylprop-2-enoxy)-2-pyridinyl]-7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazine
CID 135385322
5-Ethylsulfanyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 136933492
5-Ethylsulfanyl-4-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 137256627
5-Ethylsulfanyl-2-(2-methylprop-2-enyl)-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 137256628
5-Ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 137303411
5-Ethylsulfonyl-2-(2-methylprop-1-enyl)-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol
CID 137315755

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol?
The IUPAC name of 5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol (CID 137315699) is 5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol.
What is the SMILES notation for 5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol?
The canonical SMILES for 5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol is CCS(=O)(=O)c1cc(O)cnc1-c1nc2cc(C(F)(F)F)nnc2n1C.
What is the InChIKey of 5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol?
The InChIKey is URZATDQDMITTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5O3S/c1-3-26(24,25)9-4-7(23)6-18-11(9)13-19-8-5-10(14(15,16)17)20-21-12(8)22(13)2/h4-6,23H,3H2,1-2H3.
What are the key properties of 5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol?
5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol has a molecular weight of 387.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-6-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]pyridin-3-ol is sourced from PubChem (CID 137315699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).