2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

C16H13F3N6OS — CID 134557860

IUPAC2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)c1c2ccncc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C16H13F3N6OS/c1-3-27(26)14-10-4-5-20-8-12(10)23-25(14)15-22-11-6-9(16(17,18)19)7-21-13(11)24(15)2/h4-8H,3H2,1-2H3
InChIKeySWYFGLCDGHEBCH-UHFFFAOYSA-N
MW394.38 g/mol
LogP2.85
Rot. Bonds3

About 2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine

2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 134557860) has the molecular formula C16H13F3N6OS and a molecular weight of 394.38 g/mol. Its IUPAC name is 2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID134557860
Molecular FormulaC16H13F3N6OS
Molecular Weight394.38 g/mol
Exact Mass394.08
IUPAC Name2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCCS(=O)c1c2ccncc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C16H13F3N6OS/c1-3-27(26)14-10-4-5-20-8-12(10)23-25(14)15-22-11-6-9(16(17,18)19)7-21-13(11)24(15)2/h4-8H,3H2,1-2H3
InChIKeySWYFGLCDGHEBCH-UHFFFAOYSA-N
XLogP2.85
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]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-[3-ethylsulfinyl-4-(trifluoromethyl)indazol-2-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134557830
2-(3-ethylsulfinyl-4-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600583
2-(3-bromo-6-chloroindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 134544086
2-(3-ethylsulfanyl-5-methylindazol-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 158043161
2-(3-ethylsulfinyl-2-pyridinyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 71250990
N-[3-chloro-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]indazol-6-yl]acetamide
CID 134557888
3-methyl-2-(3-methylsulfinyl-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66600622
2-[3-ethylsulfinyl-6-(1,2,4-triazol-1-yl)-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 129140267
5-[5-ethylsulfinyl-1-methyl-4-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazol-2-yl]-3-pyridin-3-yl-4,5-dihydro-1,2-oxazole
CID 146290104
3-ethylsulfinyl-5,7-dimethyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 166806497
2-(4-chloro-2-ethylsulfinylcyclohexa-2,4-dien-1-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 137468449
3-methyl-2-(3-propoxy-4-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 66663269

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 134557860) is 2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is CCS(=O)c1c2ccncc2nn1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is SWYFGLCDGHEBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6OS/c1-3-27(26)14-10-4-5-20-8-12(10)23-25(14)15-22-11-6-9(16(17,18)19)7-21-13(11)24(15)2/h4-8H,3H2,1-2H3.
What are the key properties of 2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine?
2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 394.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfinylpyrazolo[3,4-c]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 134557860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).