(2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol

C18H15F3N4OS — CID 172542074

IUPAC(2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol
SMILESCC[C@@](O)(c1cc2ccc(-c3cnc4nn(C)cc4c3)nc2s1)C(F)(F)F
InChIInChI=1S/C18H15F3N4OS/c1-3-17(26,18(19,20)21)14-7-10-4-5-13(23-16(10)27-14)11-6-12-9-25(2)24-15(12)22-8-11/h4-9,26H,3H2,1-2H3/t17-/m1/s1
InChIKeyQULBQCXJYUXWFV-QGZVFWFLSA-N
MW392.41 g/mol
LogP4.40
Rot. Bonds3

About (2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol

(2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol (PubChem CID 172542074) has the molecular formula C18H15F3N4OS and a molecular weight of 392.41 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol
PubChem CID172542074
Molecular FormulaC18H15F3N4OS
Molecular Weight392.41 g/mol
Exact Mass392.09
IUPAC Name(2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol
SMILESCC[C@@](O)(c1cc2ccc(-c3cnc4nn(C)cc4c3)nc2s1)C(F)(F)F
InChIInChI=1S/C18H15F3N4OS/c1-3-17(26,18(19,20)21)14-7-10-4-5-13(23-16(10)27-14)11-6-12-9-25(2)24-15(12)22-8-11/h4-9,26H,3H2,1-2H3/t17-/m1/s1
InChIKeyQULBQCXJYUXWFV-QGZVFWFLSA-N
XLogP4.40
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol with MolForge

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Related Compounds

(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(2-methyl-1,3-thiazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032923
6-(5-Methylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600936
6-(5-Acetylthiophen-2-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600938
(1R)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032915
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032919
(1R)-1-(4-fluorophenyl)-1-[2-[4-[6-(2-methyl-1,3-thiazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032922
(2R,3R)-2-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 77847277
(2R,3R)-2-(2,4-difluorophenyl)-3-(2-pyridin-4-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 77847278
1-[6-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542130
5-[6-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]spiro[2.3]hexan-5-ol
CID 172542222
3,3-Dimethyl-1-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
CID 172542572
1-(Pyridin-3-ylmethyl)-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 2465725

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol (CID 172542074) is (2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol is CC[C@@](O)(c1cc2ccc(-c3cnc4nn(C)cc4c3)nc2s1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol?
The InChIKey is QULBQCXJYUXWFV-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15F3N4OS/c1-3-17(26,18(19,20)21)14-7-10-4-5-13(23-16(10)27-14)11-6-12-9-25(2)24-15(12)22-8-11/h4-9,26H,3H2,1-2H3/t17-/m1/s1.
What are the key properties of (2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol?
(2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol has a molecular weight of 392.41 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-2-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]butan-2-ol is sourced from PubChem (CID 172542074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).