6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C20H12F4N4O2 — CID 17308052

IUPAC6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12
InChIInChI=1S/C20H12F4N4O2/c1-11-18-16(20(22,23)24)10-17(12-2-4-13(21)5-3-12)25-19(18)27(26-11)14-6-8-15(9-7-14)28(29)30/h2-10H,1H3
InChIKeyGTUIARRJXCLGPM-UHFFFAOYSA-N
MW416.33 g/mol
LogP5.46
Rot. Bonds3

About 6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 17308052) has the molecular formula C20H12F4N4O2 and a molecular weight of 416.33 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID17308052
Molecular FormulaC20H12F4N4O2
Molecular Weight416.33 g/mol
Exact Mass416.09
IUPAC Name6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12
InChIInChI=1S/C20H12F4N4O2/c1-11-18-16(20(22,23)24)10-17(12-2-4-13(21)5-3-12)25-19(18)27(26-11)14-6-8-15(9-7-14)28(29)30/h2-10H,1H3
InChIKeyGTUIARRJXCLGPM-UHFFFAOYSA-N
XLogP5.46
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.33
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-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

3-methyl-1-(4-nitrophenyl)-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308050
1,6-bis(4-fluorophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090924
1-(4-bromophenyl)-3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308004
N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791122
6-(2-methoxyphenyl)-1-(4-methoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 29090878
4-[6-[4-(difluoromethoxy)-3-methoxyphenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]benzoic acid
CID 29090740
6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19585668
3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497858
1-(4-bromophenyl)-3-methyl-4,6-bis(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308003
1-(3,4-dichlorophenyl)-6-(4-hexoxyphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308119
3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 44822946
6-(4-fluorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11097920

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 17308052) is 6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12.
What is the InChIKey of 6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is GTUIARRJXCLGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N4O2/c1-11-18-16(20(22,23)24)10-17(12-2-4-13(21)5-3-12)25-19(18)27(26-11)14-6-8-15(9-7-14)28(29)30/h2-10H,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 416.33 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-methyl-1-(4-nitrophenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17308052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).