1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one

C7H4F3N3O — CID 155025254

IUPAC1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESO=c1cc[nH]c2c1cnn2C(F)(F)F
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)13-6-4(3-12-13)5(14)1-2-11-6/h1-3H,(H,11,14)
InChIKeyFAEXJUJWSCNUGF-UHFFFAOYSA-N
MW203.12 g/mol
LogP1.20
Rot. Bonds

About 1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one

1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 155025254) has the molecular formula C7H4F3N3O and a molecular weight of 203.12 g/mol. Its IUPAC name is 1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID155025254
Molecular FormulaC7H4F3N3O
Molecular Weight203.12 g/mol
Exact Mass203.03
IUPAC Name1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESO=c1cc[nH]c2c1cnn2C(F)(F)F
InChIInChI=1S/C7H4F3N3O/c8-7(9,10)13-6-4(3-12-13)5(14)1-2-11-6/h1-3H,(H,11,14)
InChIKeyFAEXJUJWSCNUGF-UHFFFAOYSA-N
XLogP1.20
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 155025254) is 1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is O=c1cc[nH]c2c1cnn2C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is FAEXJUJWSCNUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3N3O/c8-7(9,10)13-6-4(3-12-13)5(14)1-2-11-6/h1-3H,(H,11,14).
What are the key properties of 1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 203.12 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 155025254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).