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

C20H12F6N4 — CID 155388792

IUPAC6-[3-(trifluoromethyl)phenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine
SMILESFC(F)(F)c1cncc(Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4)cc32)c1
InChIInChI=1S/C20H12F6N4/c21-19(22,23)15-3-1-2-13(5-15)14-6-18-17(28-8-14)10-29-30(18)11-12-4-16(9-27-7-12)20(24,25)26/h1-10H,11H2
InChIKeySHAZAXRKEZRDEI-UHFFFAOYSA-N
MW422.33 g/mol
LogP5.58
Rot. Bonds3

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

6-[3-(trifluoromethyl)phenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155388792) has the molecular formula C20H12F6N4 and a molecular weight of 422.33 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine
PubChem CID155388792
Molecular FormulaC20H12F6N4
Molecular Weight422.33 g/mol
Exact Mass422.10
IUPAC Name6-[3-(trifluoromethyl)phenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine
SMILESFC(F)(F)c1cncc(Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4)cc32)c1
InChIInChI=1S/C20H12F6N4/c21-19(22,23)15-3-1-2-13(5-15)14-6-18-17(28-8-14)10-29-30(18)11-12-4-16(9-27-7-12)20(24,25)26/h1-10H,11H2
InChIKeySHAZAXRKEZRDEI-UHFFFAOYSA-N
XLogP5.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.33
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine (CID 155388792) is 6-[3-(trifluoromethyl)phenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine is FC(F)(F)c1cncc(Cn2ncc3ncc(-c4cccc(C(F)(F)F)c4)cc32)c1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is SHAZAXRKEZRDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N4/c21-19(22,23)15-3-1-2-13(5-15)14-6-18-17(28-8-14)10-29-30(18)11-12-4-16(9-27-7-12)20(24,25)26/h1-10H,11H2.
What are the key properties of 6-[3-(trifluoromethyl)phenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine?
6-[3-(trifluoromethyl)phenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 422.33 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).