3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol

C15H11F2N3OS — CID 172542435

IUPAC3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol
SMILESOC1(c2cc3ccc(-c4cncnc4)nc3s2)CC(F)(F)C1
InChIInChI=1S/C15H11F2N3OS/c16-15(17)6-14(21,7-15)12-3-9-1-2-11(20-13(9)22-12)10-4-18-8-19-5-10/h1-5,8,21H,6-7H2
InChIKeyMDTNQFAHUXWCFH-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.37
Rot. Bonds2

About 3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol

3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol (PubChem CID 172542435) has the molecular formula C15H11F2N3OS and a molecular weight of 319.34 g/mol. Its IUPAC name is 3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol
PubChem CID172542435
Molecular FormulaC15H11F2N3OS
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol
SMILESOC1(c2cc3ccc(-c4cncnc4)nc3s2)CC(F)(F)C1
InChIInChI=1S/C15H11F2N3OS/c16-15(17)6-14(21,7-15)12-3-9-1-2-11(20-13(9)22-12)10-4-18-8-19-5-10/h1-5,8,21H,6-7H2
InChIKeyMDTNQFAHUXWCFH-UHFFFAOYSA-N
XLogP3.37
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-Thieno[2,3-d]pyrimidin-6-yl-3-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 155553171
3-Pyrazin-2-yl-5-thieno[2,3-d]pyrimidin-6-yl-4,5-dihydro-1,2-oxazole
CID 155560417
(2-Fluoro-5-thieno[2,3-d]pyrimidin-4-ylphenyl)methanol
CID 56711413
5-Fluoro-2-(thieno[2,3-b]pyridin-2-ylmethoxy)pyrimidin-4-amine
CID 57818690
[4-Amino-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-6-yl]-(2-fluoro-3-pyridinyl)methanol
CID 59278013
2-[[1-(3-Fluoro-2-pyridinyl)cyclobutyl]methylamino]thieno[2,3-d]pyrimidine-6-carboxylic acid
CID 89568178
5-[2-[6-[2-(2,4-Difluorophenyl)-1,1-difluoro-2-hydroxy-2-pyrimidin-5-ylethyl]pyridin-3-yl]ethynyl]thiophene-2-carbonitrile
CID 90053239
3-[4-Ethyl-6-[(3-fluoro-2-pyridinyl)-hydroxymethyl]thieno[2,3-d]pyrimidin-2-yl]benzonitrile
CID 91383955
2-[(4-Ethyl-5-fluoropyrimidin-2-yl)oxymethyl]thieno[2,3-b]pyridine
CID 118311944

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol?
The IUPAC name of 3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol (CID 172542435) is 3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol.
What is the SMILES notation for 3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol?
The canonical SMILES for 3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol is OC1(c2cc3ccc(-c4cncnc4)nc3s2)CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol?
The InChIKey is MDTNQFAHUXWCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3OS/c16-15(17)6-14(21,7-15)12-3-9-1-2-11(20-13(9)22-12)10-4-18-8-19-5-10/h1-5,8,21H,6-7H2.
What are the key properties of 3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol?
3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol has a molecular weight of 319.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(6-pyrimidin-5-ylthieno[2,3-b]pyridin-2-yl)cyclobutan-1-ol is sourced from PubChem (CID 172542435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).