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

C20H14F4N4 — CID 155388795

IUPAC6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCC(F)(F)c1cc(-c2cnc3cnn(Cc4cncc(F)c4)c3c2)ccc1F
InChIInChI=1S/C20H14F4N4/c1-20(23,24)16-5-13(2-3-17(16)22)14-6-19-18(26-8-14)10-27-28(19)11-12-4-15(21)9-25-7-12/h2-10H,11H2,1H3
InChIKeyLMCILHXXKCXCPY-UHFFFAOYSA-N
MW386.35 g/mol
LogP4.93
Rot. Bonds4

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

6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155388795) has the molecular formula C20H14F4N4 and a molecular weight of 386.35 g/mol. Its IUPAC name is 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155388795
Molecular FormulaC20H14F4N4
Molecular Weight386.35 g/mol
Exact Mass386.12
IUPAC Name6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCC(F)(F)c1cc(-c2cnc3cnn(Cc4cncc(F)c4)c3c2)ccc1F
InChIInChI=1S/C20H14F4N4/c1-20(23,24)16-5-13(2-3-17(16)22)14-6-19-18(26-8-14)10-27-28(19)11-12-4-15(21)9-25-7-12/h2-10H,11H2,1H3
InChIKeyLMCILHXXKCXCPY-UHFFFAOYSA-N
XLogP4.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.35
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-[(5-fluoro-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-(1,1-difluoroethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155388795) is 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is CC(F)(F)c1cc(-c2cnc3cnn(Cc4cncc(F)c4)c3c2)ccc1F.
What is the InChIKey of 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is LMCILHXXKCXCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N4/c1-20(23,24)16-5-13(2-3-17(16)22)14-6-19-18(26-8-14)10-27-28(19)11-12-4-15(21)9-25-7-12/h2-10H,11H2,1H3.
What are the key properties of 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 386.35 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,1-difluoroethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).