1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol

C19H15F3N4OS — CID 172542042

IUPAC1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
SMILESCn1cc2cc(-c3ccc4sc(C5(O)CC(C(F)(F)F)C5)cc4n3)cnc2n1
InChIInChI=1S/C19H15F3N4OS/c1-26-9-11-4-10(8-23-17(11)25-26)13-2-3-15-14(24-13)5-16(28-15)18(27)6-12(7-18)19(20,21)22/h2-5,8-9,12,27H,6-7H2,1H3
InChIKeyVSHSWCZAVYPIPH-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.40
Rot. Bonds2

About 1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol

1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 172542042) has the molecular formula C19H15F3N4OS and a molecular weight of 404.42 g/mol. Its IUPAC name is 1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
PubChem CID172542042
Molecular FormulaC19H15F3N4OS
Molecular Weight404.42 g/mol
Exact Mass404.09
IUPAC Name1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
SMILESCn1cc2cc(-c3ccc4sc(C5(O)CC(C(F)(F)F)C5)cc4n3)cnc2n1
InChIInChI=1S/C19H15F3N4OS/c1-26-9-11-4-10(8-23-17(11)25-26)13-2-3-15-14(24-13)5-16(28-15)18(27)6-12(7-18)19(20,21)22/h2-5,8-9,12,27H,6-7H2,1H3
InChIKeyVSHSWCZAVYPIPH-UHFFFAOYSA-N
XLogP4.40
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol 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

(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
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
(R)-(3,3-difluorocyclobutyl)-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methanol
CID 172542545
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
(3R)-1-[4-[6-[6-(3-hydroxy-3-methylbutyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]thiophen-2-yl]-4-methyl-3-(trifluoromethyl)pentan-1-one
CID 59603836
2-[3-[5-[5-(Trifluoromethyl)-2-[3-(trifluoromethyl)pyridin-2-yl]pyrazol-3-yl]thiophen-2-yl]phenyl]propan-2-ol
CID 59632977

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol (CID 172542042) is 1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol is Cn1cc2cc(-c3ccc4sc(C5(O)CC(C(F)(F)F)C5)cc4n3)cnc2n1.
What is the InChIKey of 1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is VSHSWCZAVYPIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4OS/c1-26-9-11-4-10(8-23-17(11)25-26)13-2-3-15-14(24-13)5-16(28-15)18(27)6-12(7-18)19(20,21)22/h2-5,8-9,12,27H,6-7H2,1H3.
What are the key properties of 1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol?
1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 404.42 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 172542042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).