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

C18H11F3N4 — CID 155388896

IUPAC6-(3,4-difluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(Cn2ncc3ncc(-c4ccc(F)c(F)c4)cc32)cn1
InChIInChI=1S/C18H11F3N4/c19-14-3-2-12(5-15(14)20)13-6-17-16(22-8-13)9-24-25(17)10-11-1-4-18(21)23-7-11/h1-9H,10H2
InChIKeySCLDBWUQANCSHO-UHFFFAOYSA-N
MW340.31 g/mol
LogP3.96
Rot. Bonds3

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

6-(3,4-difluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155388896) has the molecular formula C18H11F3N4 and a molecular weight of 340.31 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155388896
Molecular FormulaC18H11F3N4
Molecular Weight340.31 g/mol
Exact Mass340.09
IUPAC Name6-(3,4-difluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(Cn2ncc3ncc(-c4ccc(F)c(F)c4)cc32)cn1
InChIInChI=1S/C18H11F3N4/c19-14-3-2-12(5-15(14)20)13-6-17-16(22-8-13)9-24-25(17)10-11-1-4-18(21)23-7-11/h1-9H,10H2
InChIKeySCLDBWUQANCSHO-UHFFFAOYSA-N
XLogP3.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(3,4-difluorophenyl)-1-[(6-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-(3,4-difluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(3,4-difluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155388896) is 6-(3,4-difluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(3,4-difluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is Fc1ccc(Cn2ncc3ncc(-c4ccc(F)c(F)c4)cc32)cn1.
What is the InChIKey of 6-(3,4-difluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is SCLDBWUQANCSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4/c19-14-3-2-12(5-15(14)20)13-6-17-16(22-8-13)9-24-25(17)10-11-1-4-18(21)23-7-11/h1-9H,10H2.
What are the key properties of 6-(3,4-difluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-(3,4-difluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 340.31 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).