6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C20H11F6N3O — CID 44822845

IUPAC6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFc1ccccc1-n1ncc2c(C(F)(F)F)cc(-c3cccc(OC(F)F)c3)nc21
InChIInChI=1S/C20H11F6N3O/c21-15-6-1-2-7-17(15)29-18-13(10-27-29)14(20(24,25)26)9-16(28-18)11-4-3-5-12(8-11)30-19(22)23/h1-10,19H
InChIKeyCLSRHLUAKQEVRM-UHFFFAOYSA-N
MW423.32 g/mol
LogP5.85
Rot. Bonds4

About 6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 44822845) has the molecular formula C20H11F6N3O and a molecular weight of 423.32 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID44822845
Molecular FormulaC20H11F6N3O
Molecular Weight423.32 g/mol
Exact Mass423.08
IUPAC Name6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESFc1ccccc1-n1ncc2c(C(F)(F)F)cc(-c3cccc(OC(F)F)c3)nc21
InChIInChI=1S/C20H11F6N3O/c21-15-6-1-2-7-17(15)29-18-13(10-27-29)14(20(24,25)26)9-16(28-18)11-4-3-5-12(8-11)30-19(22)23/h1-10,19H
InChIKeyCLSRHLUAKQEVRM-UHFFFAOYSA-N
XLogP5.85
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.32
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

4-(difluoromethyl)-1-(2-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine
CID 29090609
2-[6-[3-(difluoromethoxy)phenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid
CID 19497189
1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090924
4-(difluoromethyl)-1-(2-fluorophenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine
CID 29096020
4-[3-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2742540
1-(4-fluorophenyl)-6-(furan-2-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090918
6-[3-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118854616
3,5-bis[3-(difluoromethoxy)phenyl]-1-phenylpyrazole
CID 17025617
5-(3-methoxyphenyl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1288372
4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 71669364
2-(4-chlorophenyl)-4-[3-(difluoromethoxy)phenyl]-1,3-thiazole
CID 2742538
[2-[4-(2-fluorophenyl)piperazin-1-yl]-6-[3-(trifluoromethoxy)phenyl]pyrimidin-4-yl]methanamine
CID 68758459

Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 44822845) is 6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Fc1ccccc1-n1ncc2c(C(F)(F)F)cc(-c3cccc(OC(F)F)c3)nc21.
What is the InChIKey of 6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is CLSRHLUAKQEVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F6N3O/c21-15-6-1-2-7-17(15)29-18-13(10-27-29)14(20(24,25)26)9-16(28-18)11-4-3-5-12(8-11)30-19(22)23/h1-10,19H.
What are the key properties of 6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 423.32 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)phenyl]-1-(2-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 44822845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).