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

C22H17F4N3O2 — CID 29090978

IUPAC6-(2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4F)c3n2)c1
InChIInChI=1S/C22H17F4N3O2/c1-12-20-15(22(24,25)26)11-17(14-10-13(30-2)8-9-19(14)31-3)27-21(20)29(28-12)18-7-5-4-6-16(18)23/h4-11H,1-3H3
InChIKeyOXRPXMYKMVMXRZ-UHFFFAOYSA-N
MW431.39 g/mol
LogP5.57
Rot. Bonds4

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

6-(2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 29090978) has the molecular formula C22H17F4N3O2 and a molecular weight of 431.39 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID29090978
Molecular FormulaC22H17F4N3O2
Molecular Weight431.39 g/mol
Exact Mass431.13
IUPAC Name6-(2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCOc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4F)c3n2)c1
InChIInChI=1S/C22H17F4N3O2/c1-12-20-15(22(24,25)26)11-17(14-10-13(30-2)8-9-19(14)31-3)27-21(20)29(28-12)18-7-5-4-6-16(18)23/h4-11H,1-3H3
InChIKeyOXRPXMYKMVMXRZ-UHFFFAOYSA-N
XLogP5.57
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.39
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 29090978) is 6-(2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccccc4F)c3n2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is OXRPXMYKMVMXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O2/c1-12-20-15(22(24,25)26)11-17(14-10-13(30-2)8-9-19(14)31-3)27-21(20)29(28-12)18-7-5-4-6-16(18)23/h4-11H,1-3H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 431.39 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-1-(2-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).