2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine

C17H15F3N4O2S — CID 118871958

IUPAC2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESCCS(=O)(=O)c1cc(C2CC2)cnc1-n1cc2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H15F3N4O2S/c1-2-27(25,26)14-5-11(10-3-4-10)7-22-16(14)24-9-12-8-21-15(17(18,19)20)6-13(12)23-24/h5-10H,2-4H2,1H3
InChIKeyZDLBGKJKBLLKTK-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.51
Rot. Bonds4

About 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine

2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine (PubChem CID 118871958) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine
PubChem CID118871958
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC Name2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine
SMILESCCS(=O)(=O)c1cc(C2CC2)cnc1-n1cc2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C17H15F3N4O2S/c1-2-27(25,26)14-5-11(10-3-4-10)7-22-16(14)24-9-12-8-21-15(17(18,19)20)6-13(12)23-24/h5-10H,2-4H2,1H3
InChIKeyZDLBGKJKBLLKTK-UHFFFAOYSA-N
XLogP3.51
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-ethylsulfonyl-6-[6-(trifluoromethyl)pyrazolo[4,3-c]pyridin-2-yl]-3-pyridinyl]-2-methylpropanenitrile
CID 138472892
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 155685769
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)-3H-pyrrolo[3,4-c]pyridin-1-one
CID 154691490
2-[3-ethylsulfonyl-6-(3-methylsulfanyl-1,2,4-triazol-1-yl)-2-pyridinyl]-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine
CID 130337005
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 155685565
2-[5-(2,2-difluorocyclopropyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118892619
5-cyclopropyl-3-ethylsulfonyl-2-[5-methyl-1-(2,2,3,3,3-pentafluoropropyl)imidazol-4-yl]pyridine
CID 161370943
2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 175833312
6-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-2,2-difluoro-5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole
CID 175695062
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-7-(trifluoromethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 155685651
[5-cyclopropyl-2-[7-methyl-3-(trifluoromethyl)imidazo[4,5-c]pyridazin-6-yl]-3-pyridinyl]-ethyl-imino-oxo-λ6-sulfane
CID 168736520
CID 146268991
CID 146268991

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine (CID 118871958) is 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine is CCS(=O)(=O)c1cc(C2CC2)cnc1-n1cc2cnc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
The InChIKey is ZDLBGKJKBLLKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c1-2-27(25,26)14-5-11(10-3-4-10)7-22-16(14)24-9-12-8-21-15(17(18,19)20)6-13(12)23-24/h5-10H,2-4H2,1H3.
What are the key properties of 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine?
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine has a molecular weight of 396.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 118871958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).