6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine

C20H16F2N4 — CID 155388964

IUPAC6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCc1cncc(Cn2ncc3ncc(-c4ccc(F)c(C)c4F)cc32)c1
InChIInChI=1S/C20H16F2N4/c1-12-5-14(8-23-7-12)11-26-19-6-15(9-24-18(19)10-25-26)16-3-4-17(21)13(2)20(16)22/h3-10H,11H2,1-2H3
InChIKeyVZVFTGIWTJXCPB-UHFFFAOYSA-N
MW350.37 g/mol
LogP4.44
Rot. Bonds3

About 6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine

6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155388964) has the molecular formula C20H16F2N4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155388964
Molecular FormulaC20H16F2N4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCc1cncc(Cn2ncc3ncc(-c4ccc(F)c(C)c4F)cc32)c1
InChIInChI=1S/C20H16F2N4/c1-12-5-14(8-23-7-12)11-26-19-6-15(9-24-18(19)10-25-26)16-3-4-17(21)13(2)20(16)22/h3-10H,11H2,1-2H3
InChIKeyVZVFTGIWTJXCPB-UHFFFAOYSA-N
XLogP4.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155388964) is 6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is Cc1cncc(Cn2ncc3ncc(-c4ccc(F)c(C)c4F)cc32)c1.
What is the InChIKey of 6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is VZVFTGIWTJXCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4/c1-12-5-14(8-23-7-12)11-26-19-6-15(9-24-18(19)10-25-26)16-3-4-17(21)13(2)20(16)22/h3-10H,11H2,1-2H3.
What are the key properties of 6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 350.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).