3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol

C16H11F2N5OS — CID 172542056

IUPAC3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
SMILESOC1(c2cc3ccc(-c4cnc5n[nH]nc5c4)nc3s2)CC(F)(F)C1
InChIInChI=1S/C16H11F2N5OS/c17-16(18)6-15(24,7-16)12-4-8-1-2-10(20-14(8)25-12)9-3-11-13(19-5-9)22-23-21-11/h1-5,24H,6-7H2,(H,19,21,22,23)
InChIKeyMNLJMXORWWITMD-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.25
Rot. Bonds2

About 3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol

3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol (PubChem CID 172542056) has the molecular formula C16H11F2N5OS and a molecular weight of 359.36 g/mol. Its IUPAC name is 3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
PubChem CID172542056
Molecular FormulaC16H11F2N5OS
Molecular Weight359.36 g/mol
Exact Mass359.07
IUPAC Name3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol
SMILESOC1(c2cc3ccc(-c4cnc5n[nH]nc5c4)nc3s2)CC(F)(F)C1
InChIInChI=1S/C16H11F2N5OS/c17-16(18)6-15(24,7-16)12-4-8-1-2-10(20-14(8)25-12)9-3-11-13(19-5-9)22-23-21-11/h1-5,24H,6-7H2,(H,19,21,22,23)
InChIKeyMNLJMXORWWITMD-UHFFFAOYSA-N
XLogP3.25
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol with MolForge

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Related Compounds

(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
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
[3-[3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazin-5-yl]phenyl]methanol
CID 134805797
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 123536195
2-[6-[[4-[2-Amino-6-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
CID 164855166
1-[5-(3-Methyltriazolo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-(trifluoromethoxy)cyclobutan-1-ol
CID 172542033
1-[5-(2-Methylpyrazolo[3,4-b]pyridin-5-yl)thieno[3,2-b]pyridin-2-yl]-3-(trifluoromethyl)cyclobutan-1-ol
CID 172542042
(R)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methanol
CID 172542045
(2,2-Difluorocyclopropyl)-[6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl]methanol
CID 172542049

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol?
The IUPAC name of 3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol (CID 172542056) is 3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol.
What is the SMILES notation for 3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol?
The canonical SMILES for 3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol is OC1(c2cc3ccc(-c4cnc5n[nH]nc5c4)nc3s2)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol?
The InChIKey is MNLJMXORWWITMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5OS/c17-16(18)6-15(24,7-16)12-4-8-1-2-10(20-14(8)25-12)9-3-11-13(19-5-9)22-23-21-11/h1-5,24H,6-7H2,(H,19,21,22,23).
What are the key properties of 3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol?
3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol has a molecular weight of 359.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[6-(2H-triazolo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridin-2-yl]cyclobutan-1-ol is sourced from PubChem (CID 172542056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).