5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one

C10H9F2N3O — CID 164917381

IUPAC5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one
SMILESO=c1c2cn[nH]c2ccn1C1CC(F)(F)C1
InChIInChI=1S/C10H9F2N3O/c11-10(12)3-6(4-10)15-2-1-8-7(9(15)16)5-13-14-8/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyPBKAJGSZDQWAFE-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.69
Rot. Bonds1

About 5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one

5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one (PubChem CID 164917381) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one
PubChem CID164917381
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one
SMILESO=c1c2cn[nH]c2ccn1C1CC(F)(F)C1
InChIInChI=1S/C10H9F2N3O/c11-10(12)3-6(4-10)15-2-1-8-7(9(15)16)5-13-14-8/h1-2,5-6H,3-4H2,(H,13,14)
InChIKeyPBKAJGSZDQWAFE-UHFFFAOYSA-N
XLogP1.69
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one (CID 164917381) is 5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one is O=c1c2cn[nH]c2ccn1C1CC(F)(F)C1.
What is the InChIKey of 5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is PBKAJGSZDQWAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-10(12)3-6(4-10)15-2-1-8-7(9(15)16)5-13-14-8/h1-2,5-6H,3-4H2,(H,13,14).
What are the key properties of 5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one?
5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 225.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluorocyclobutyl)-1H-pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 164917381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).