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

C20H17FN4 — CID 155389010

IUPAC6-(4-fluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCc1cncc(Cn2ncc3ncc(-c4ccc(F)c(C)c4)cc32)c1
InChIInChI=1S/C20H17FN4/c1-13-5-15(9-22-8-13)12-25-20-7-17(10-23-19(20)11-24-25)16-3-4-18(21)14(2)6-16/h3-11H,12H2,1-2H3
InChIKeyLLQQJGYDVCPFGX-UHFFFAOYSA-N
MW332.38 g/mol
LogP4.30
Rot. Bonds3

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

6-(4-fluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389010) has the molecular formula C20H17FN4 and a molecular weight of 332.38 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389010
Molecular FormulaC20H17FN4
Molecular Weight332.38 g/mol
Exact Mass332.14
IUPAC Name6-(4-fluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCc1cncc(Cn2ncc3ncc(-c4ccc(F)c(C)c4)cc32)c1
InChIInChI=1S/C20H17FN4/c1-13-5-15(9-22-8-13)12-25-20-7-17(10-23-19(20)11-24-25)16-3-4-18(21)14(2)6-16/h3-11H,12H2,1-2H3
InChIKeyLLQQJGYDVCPFGX-UHFFFAOYSA-N
XLogP4.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155389010) is 6-(4-fluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is Cc1cncc(Cn2ncc3ncc(-c4ccc(F)c(C)c4)cc32)c1.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is LLQQJGYDVCPFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4/c1-13-5-15(9-22-8-13)12-25-20-7-17(10-23-19(20)11-24-25)16-3-4-18(21)14(2)6-16/h3-11H,12H2,1-2H3.
What are the key properties of 6-(4-fluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-(4-fluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 332.38 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).