4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

C8H3F6N3O — CID 1262956

IUPAC4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESO=c1[nH][nH]c2nc(C(F)(F)F)cc(C(F)(F)F)c12
InChIInChI=1S/C8H3F6N3O/c9-7(10,11)2-1-3(8(12,13)14)15-5-4(2)6(18)17-16-5/h1H,(H2,15,16,17,18)
InChIKeyOPBHNLKZFXNZLY-UHFFFAOYSA-N
MW271.12 g/mol
LogP2.29
Rot. Bonds

About 4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one

4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (PubChem CID 1262956) has the molecular formula C8H3F6N3O and a molecular weight of 271.12 g/mol. Its IUPAC name is 4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
PubChem CID1262956
Molecular FormulaC8H3F6N3O
Molecular Weight271.12 g/mol
Exact Mass271.02
IUPAC Name4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
SMILESO=c1[nH][nH]c2nc(C(F)(F)F)cc(C(F)(F)F)c12
InChIInChI=1S/C8H3F6N3O/c9-7(10,11)2-1-3(8(12,13)14)15-5-4(2)6(18)17-16-5/h1H,(H2,15,16,17,18)
InChIKeyOPBHNLKZFXNZLY-UHFFFAOYSA-N
XLogP2.29
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.12
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one (CID 1262956) is 4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is O=c1[nH][nH]c2nc(C(F)(F)F)cc(C(F)(F)F)c12.
What is the InChIKey of 4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
The InChIKey is OPBHNLKZFXNZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6N3O/c9-7(10,11)2-1-3(8(12,13)14)15-5-4(2)6(18)17-16-5/h1H,(H2,15,16,17,18).
What are the key properties of 4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one?
4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one has a molecular weight of 271.12 g/mol, XLogP of 2.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(trifluoromethyl)-1,2-dihydropyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 1262956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).