2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C16H13F3N6O2S — CID 134365728

IUPAC2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn2cccnc12
InChIInChI=1S/C16H13F3N6O2S/c1-3-28(26,27)13-12(23-25-6-4-5-20-15(13)25)14-22-9-7-11(16(17,18)19)21-8-10(9)24(14)2/h4-8H,3H2,1-2H3
InChIKeyHOLUAAWHQFIWRF-UHFFFAOYSA-N
MW410.38 g/mol
LogP2.49
Rot. Bonds3

About 2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 134365728) has the molecular formula C16H13F3N6O2S and a molecular weight of 410.38 g/mol. Its IUPAC name is 2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID134365728
Molecular FormulaC16H13F3N6O2S
Molecular Weight410.38 g/mol
Exact Mass410.08
IUPAC Name2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn2cccnc12
InChIInChI=1S/C16H13F3N6O2S/c1-3-28(26,27)13-12(23-25-6-4-5-20-15(13)25)14-22-9-7-11(16(17,18)19)21-8-10(9)24(14)2/h4-8H,3H2,1-2H3
InChIKeyHOLUAAWHQFIWRF-UHFFFAOYSA-N
XLogP2.49
TPSA95.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-ethylsulfonyl-1-methyl-2-(1-methylpyrrol-2-yl)imidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235352
2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 175833312
3-ethylsulfonyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,2,5-thiadiazole
CID 164729650
[2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine
CID 160888396
2-[6-(3-chloropyrazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 158048184
5-[5-ethylsulfonyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazol-2-yl]-2-methyl-1,3-thiazole
CID 135235226
2-[5-(2,2-difluorocyclopropyl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118892619
2-(3-ethylsulfonyl-5-imidazo[1,2-a]pyridin-3-yl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438528
2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]pyridin-3-ol
CID 142621016
2-[3-ethylsulfonyl-5-(4-ethylsulfonylphenyl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118656836
2-[5-(2,2-difluoropropoxy)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 150988323
2-[5-ethylsulfonyl-2-(6-fluoro-3-pyridinyl)-1-methylimidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235288

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 134365728) is 2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn2cccnc12.
What is the InChIKey of 2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is HOLUAAWHQFIWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O2S/c1-3-28(26,27)13-12(23-25-6-4-5-20-15(13)25)14-22-9-7-11(16(17,18)19)21-8-10(9)24(14)2/h4-8H,3H2,1-2H3.
What are the key properties of 2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 410.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfonylpyrazolo[1,5-a]pyrimidin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 134365728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).