2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone

C15H12ClFN4OS — CID 155389913

IUPAC2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone
SMILESO=C(Cn1ncc2ncc(-c3ccc(Cl)s3)cc21)N1CC(F)C1
InChIInChI=1S/C15H12ClFN4OS/c16-14-2-1-13(23-14)9-3-12-11(18-4-9)5-19-21(12)8-15(22)20-6-10(17)7-20/h1-5,10H,6-8H2
InChIKeyZMQZIVUMMFINJE-UHFFFAOYSA-N
MW350.81 g/mol
LogP2.99
Rot. Bonds3

About 2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone

2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone (PubChem CID 155389913) has the molecular formula C15H12ClFN4OS and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone
PubChem CID155389913
Molecular FormulaC15H12ClFN4OS
Molecular Weight350.81 g/mol
Exact Mass350.04
IUPAC Name2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone
SMILESO=C(Cn1ncc2ncc(-c3ccc(Cl)s3)cc21)N1CC(F)C1
InChIInChI=1S/C15H12ClFN4OS/c16-14-2-1-13(23-14)9-3-12-11(18-4-9)5-19-21(12)8-15(22)20-6-10(17)7-20/h1-5,10H,6-8H2
InChIKeyZMQZIVUMMFINJE-UHFFFAOYSA-N
XLogP2.99
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone with MolForge

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Related Compounds

US10377753, Example 378
CID 124176232
US10377753, Example 426
CID 124176277
US10377753, Example 438
CID 124176291
US10377753, Example 97
CID 124175947
US10377753, Example 279
CID 124176129
US10377753, Example 281
CID 124176131
US10377753, Example 280
CID 124176132
US10377753, Example 284
CID 124176135
US10377753, Example 285
CID 124176136
US10377753, Example 309
CID 124176160
US10377753, Example 318
CID 124176169
US10377753, Example 322
CID 124176174

Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone?
The IUPAC name of 2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone (CID 155389913) is 2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone.
What is the SMILES notation for 2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone?
The canonical SMILES for 2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone is O=C(Cn1ncc2ncc(-c3ccc(Cl)s3)cc21)N1CC(F)C1.
What is the InChIKey of 2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone?
The InChIKey is ZMQZIVUMMFINJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4OS/c16-14-2-1-13(23-14)9-3-12-11(18-4-9)5-19-21(12)8-15(22)20-6-10(17)7-20/h1-5,10H,6-8H2.
What are the key properties of 2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone?
2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone has a molecular weight of 350.81 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-chlorothiophen-2-yl)pyrazolo[4,5-b]pyridin-1-yl]-1-(3-fluoroazetidin-1-yl)ethanone is sourced from PubChem (CID 155389913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).