4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine

C21H16F3N3O2 — CID 155559779

IUPAC4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1ccc(-c2nccc3[nH]nc(-c4cccc(C(F)(F)F)c4)c23)cc1OC
InChIInChI=1S/C21H16F3N3O2/c1-28-16-7-6-13(11-17(16)29-2)19-18-15(8-9-25-19)26-27-20(18)12-4-3-5-14(10-12)21(22,23)24/h3-11H,1-2H3,(H,26,27)
InChIKeySOPVLNIVIQXVII-UHFFFAOYSA-N
MW399.37 g/mol
LogP5.33
Rot. Bonds4

About 4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine

4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine (PubChem CID 155559779) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine
PubChem CID155559779
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC Name4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine
SMILESCOc1ccc(-c2nccc3[nH]nc(-c4cccc(C(F)(F)F)c4)c23)cc1OC
InChIInChI=1S/C21H16F3N3O2/c1-28-16-7-6-13(11-17(16)29-2)19-18-15(8-9-25-19)26-27-20(18)12-4-3-5-14(10-12)21(22,23)24/h3-11H,1-2H3,(H,26,27)
InChIKeySOPVLNIVIQXVII-UHFFFAOYSA-N
XLogP5.33
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.37
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine (CID 155559779) is 4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine is COc1ccc(-c2nccc3[nH]nc(-c4cccc(C(F)(F)F)c4)c23)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine?
The InChIKey is SOPVLNIVIQXVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c1-28-16-7-6-13(11-17(16)29-2)19-18-15(8-9-25-19)26-27-20(18)12-4-3-5-14(10-12)21(22,23)24/h3-11H,1-2H3,(H,26,27).
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine?
4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine has a molecular weight of 399.37 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 155559779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).