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

C20H12F5N3O — CID 155389391

IUPAC6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(3,5-difluorophenyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1cc(F)cc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)c1
InChIInChI=1S/C20H12F5N3O/c21-14-3-11(4-15(22)7-14)10-28-18-5-13(8-26-17(18)9-27-28)12-1-2-16(23)19(6-12)29-20(24)25/h1-9,20H,10H2
InChIKeyFSMFXOSHKCOXSB-UHFFFAOYSA-N
MW405.33 g/mol
LogP5.17
Rot. Bonds5

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

6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(3,5-difluorophenyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389391) has the molecular formula C20H12F5N3O and a molecular weight of 405.33 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(3,5-difluorophenyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(3,5-difluorophenyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389391
Molecular FormulaC20H12F5N3O
Molecular Weight405.33 g/mol
Exact Mass405.09
IUPAC Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(3,5-difluorophenyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1cc(F)cc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)c1
InChIInChI=1S/C20H12F5N3O/c21-14-3-11(4-15(22)7-14)10-28-18-5-13(8-26-17(18)9-27-28)12-1-2-16(23)19(6-12)29-20(24)25/h1-9,20H,10H2
InChIKeyFSMFXOSHKCOXSB-UHFFFAOYSA-N
XLogP5.17
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.33
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(3,5-difluorophenyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(3,5-difluorophenyl)methyl]pyrazolo[4,5-b]pyridine (CID 155389391) is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(3,5-difluorophenyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(3,5-difluorophenyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(3,5-difluorophenyl)methyl]pyrazolo[4,5-b]pyridine is Fc1cc(F)cc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)c1.
What is the InChIKey of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(3,5-difluorophenyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is FSMFXOSHKCOXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F5N3O/c21-14-3-11(4-15(22)7-14)10-28-18-5-13(8-26-17(18)9-27-28)12-1-2-16(23)19(6-12)29-20(24)25/h1-9,20H,10H2.
What are the key properties of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(3,5-difluorophenyl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(3,5-difluorophenyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 405.33 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(3,5-difluorophenyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).