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

C20H13F5N4 — CID 155399910

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(difluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cncc(C(F)F)c4)c3c2)cc1C(F)F
InChIInChI=1S/C20H13F5N4/c21-16-2-1-12(4-15(16)20(24)25)13-5-18-17(27-8-13)9-28-29(18)10-11-3-14(19(22)23)7-26-6-11/h1-9,19-20H,10H2
InChIKeyPHLICUYMNUVCGO-UHFFFAOYSA-N
MW404.34 g/mol
LogP5.56
Rot. Bonds5

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

6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(difluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155399910) has the molecular formula C20H13F5N4 and a molecular weight of 404.34 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(difluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(difluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine
PubChem CID155399910
Molecular FormulaC20H13F5N4
Molecular Weight404.34 g/mol
Exact Mass404.11
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(difluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cncc(C(F)F)c4)c3c2)cc1C(F)F
InChIInChI=1S/C20H13F5N4/c21-16-2-1-12(4-15(16)20(24)25)13-5-18-17(27-8-13)9-28-29(18)10-11-3-14(19(22)23)7-26-6-11/h1-9,19-20H,10H2
InChIKeyPHLICUYMNUVCGO-UHFFFAOYSA-N
XLogP5.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.34
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(difluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(difluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine (CID 155399910) is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(difluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(difluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(difluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine is Fc1ccc(-c2cnc3cnn(Cc4cncc(C(F)F)c4)c3c2)cc1C(F)F.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(difluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is PHLICUYMNUVCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N4/c21-16-2-1-12(4-15(16)20(24)25)13-5-18-17(27-8-13)9-28-29(18)10-11-3-14(19(22)23)7-26-6-11/h1-9,19-20H,10H2.
What are the key properties of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(difluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[[5-(difluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 404.34 g/mol, XLogP of 5.56, 5 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-(difluoromethyl)-3-pyridinyl]methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155399910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).