2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone

C8H9F2N3O — CID 130860841

IUPAC2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
SMILESO=C(C(F)F)N1CCc2cn[nH]c2C1
InChIInChI=1S/C8H9F2N3O/c9-7(10)8(14)13-2-1-5-3-11-12-6(5)4-13/h3,7H,1-2,4H2,(H,11,12)
InChIKeyROQKQILYHYXUOE-UHFFFAOYSA-N
MW201.18 g/mol
LogP0.56
Rot. Bonds1

About 2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone

2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone (PubChem CID 130860841) has the molecular formula C8H9F2N3O and a molecular weight of 201.18 g/mol. Its IUPAC name is 2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
PubChem CID130860841
Molecular FormulaC8H9F2N3O
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
SMILESO=C(C(F)F)N1CCc2cn[nH]c2C1
InChIInChI=1S/C8H9F2N3O/c9-7(10)8(14)13-2-1-5-3-11-12-6(5)4-13/h3,7H,1-2,4H2,(H,11,12)
InChIKeyROQKQILYHYXUOE-UHFFFAOYSA-N
XLogP0.56
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone (CID 130860841) is 2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone is O=C(C(F)F)N1CCc2cn[nH]c2C1.
What is the InChIKey of 2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
The InChIKey is ROQKQILYHYXUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O/c9-7(10)8(14)13-2-1-5-3-11-12-6(5)4-13/h3,7H,1-2,4H2,(H,11,12).
What are the key properties of 2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone has a molecular weight of 201.18 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone is sourced from PubChem (CID 130860841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).