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

C20H12F6N4 — CID 155389172

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cncc(C(F)(F)F)c4)c3c2)cc1C(F)F
InChIInChI=1S/C20H12F6N4/c21-16-2-1-12(4-15(16)19(22)23)13-5-18-17(28-7-13)9-29-30(18)10-11-3-14(8-27-6-11)20(24,25)26/h1-9,19H,10H2
InChIKeyZQTAMXYKJFXIEY-UHFFFAOYSA-N
MW422.33 g/mol
LogP5.64
Rot. Bonds4

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

6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389172) has the molecular formula C20H12F6N4 and a molecular weight of 422.33 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389172
Molecular FormulaC20H12F6N4
Molecular Weight422.33 g/mol
Exact Mass422.10
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cncc(C(F)(F)F)c4)c3c2)cc1C(F)F
InChIInChI=1S/C20H12F6N4/c21-16-2-1-12(4-15(16)19(22)23)13-5-18-17(28-7-13)9-29-30(18)10-11-3-14(8-27-6-11)20(24,25)26/h1-9,19H,10H2
InChIKeyZQTAMXYKJFXIEY-UHFFFAOYSA-N
XLogP5.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.33
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine (CID 155389172) is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine is Fc1ccc(-c2cnc3cnn(Cc4cncc(C(F)(F)F)c4)c3c2)cc1C(F)F.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is ZQTAMXYKJFXIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F6N4/c21-16-2-1-12(4-15(16)19(22)23)13-5-18-17(28-7-13)9-29-30(18)10-11-3-14(8-27-6-11)20(24,25)26/h1-9,19H,10H2.
What are the key properties of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 422.33 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).