(S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol

C18H15F2N5OS — CID 172542064

IUPAC(S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol
SMILESCn1nnc2cc(-c3ccc4cc([C@@H](O)C5CC(F)(F)C5)sc4n3)cnc21
InChIInChI=1S/C18H15F2N5OS/c1-25-16-13(23-24-25)4-10(8-21-16)12-3-2-9-5-14(27-17(9)22-12)15(26)11-6-18(19,20)7-11/h2-5,8,11,15,26H,6-7H2,1H3/t15-/m0/s1
InChIKeyBXSVETURHJXMSK-HNNXBMFYSA-N
MW387.42 g/mol
LogP3.72
Rot. Bonds3

About (S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol

(S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol (PubChem CID 172542064) has the molecular formula C18H15F2N5OS and a molecular weight of 387.42 g/mol. Its IUPAC name is (S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol.

Molecular Properties

Compound Name(S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol
PubChem CID172542064
Molecular FormulaC18H15F2N5OS
Molecular Weight387.42 g/mol
Exact Mass387.10
IUPAC Name(S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol
SMILESCn1nnc2cc(-c3ccc4cc([C@@H](O)C5CC(F)(F)C5)sc4n3)cnc21
InChIInChI=1S/C18H15F2N5OS/c1-25-16-13(23-24-25)4-10(8-21-16)12-3-2-9-5-14(27-17(9)22-12)15(26)11-6-18(19,20)7-11/h2-5,8,11,15,26H,6-7H2,1H3/t15-/m0/s1
InChIKeyBXSVETURHJXMSK-HNNXBMFYSA-N
XLogP3.72
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol 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

[3-[3-(2-Thienyl)imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 126673064
(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
[5-(1-Pyridin-4-ylimidazo[1,5-a]pyridin-3-yl)thiophen-2-yl]methanol
CID 134149171
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
1-(4-(2-(2-(2-(1H-1,2,3-triazol-1-yl)ethylamino)-5-fluoropyrimidin-4-yl)benzo[b]thiophen-7-yl)-6-fluoropyridin-3-yl)ethanol
CID 25120908
(1R)-1-[6-fluoro-4-[2-[5-fluoro-2-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]-1-benzothiophen-7-yl]-3-pyridinyl]ethanol
CID 25121616
[2-[2-(1,3-Benzothiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol
CID 68631513
[(6-Amino-2,2-difluorocyclohexyl)amino]-(5-ethyl-4-imidazo[1,2-b]pyridazin-3-ylthiophen-2-yl)methanol
CID 91481521

Frequently Asked Questions

What is the IUPAC name of (S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The IUPAC name of (S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol (CID 172542064) is (S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol.
What is the SMILES notation for (S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The canonical SMILES for (S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol is Cn1nnc2cc(-c3ccc4cc([C@@H](O)C5CC(F)(F)C5)sc4n3)cnc21.
What is the InChIKey of (S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol?
The InChIKey is BXSVETURHJXMSK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H15F2N5OS/c1-25-16-13(23-24-25)4-10(8-21-16)12-3-2-9-5-14(27-17(9)22-12)15(26)11-6-18(19,20)7-11/h2-5,8,11,15,26H,6-7H2,1H3/t15-/m0/s1.
What are the key properties of (S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol?
(S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol has a molecular weight of 387.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3,3-difluorocyclobutyl)-[6-(3-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]methanol is sourced from PubChem (CID 172542064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).