2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C19H15F3N6O2S — CID 130438510

IUPAC2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2ccnnc2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H15F3N6O2S/c1-3-31(29,30)15-6-12(11-4-5-25-26-9-11)8-24-17(15)18-27-13-7-16(19(20,21)22)23-10-14(13)28(18)2/h4-10H,3H2,1-2H3
InChIKeyOXQZKHUXJAFDCE-UHFFFAOYSA-N
MW448.43 g/mol
LogP3.30
Rot. Bonds4

About 2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 130438510) has the molecular formula C19H15F3N6O2S and a molecular weight of 448.43 g/mol. Its IUPAC name is 2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID130438510
Molecular FormulaC19H15F3N6O2S
Molecular Weight448.43 g/mol
Exact Mass448.09
IUPAC Name2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1cc(-c2ccnnc2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H15F3N6O2S/c1-3-31(29,30)15-6-12(11-4-5-25-26-9-11)8-24-17(15)18-27-13-7-16(19(20,21)22)23-10-14(13)28(18)2/h4-10H,3H2,1-2H3
InChIKeyOXQZKHUXJAFDCE-UHFFFAOYSA-N
XLogP3.30
TPSA103.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 130438510) is 2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1cc(-c2ccnnc2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of 2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is OXQZKHUXJAFDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O2S/c1-3-31(29,30)15-6-12(11-4-5-25-26-9-11)8-24-17(15)18-27-13-7-16(19(20,21)22)23-10-14(13)28(18)2/h4-10H,3H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 448.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonyl-5-pyridazin-4-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 130438510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).