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

C18H12ClFN4 — CID 155389263

IUPAC6-(4-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1cncc(Cn2ncc3ncc(-c4ccc(Cl)cc4)cc32)c1
InChIInChI=1S/C18H12ClFN4/c19-15-3-1-13(2-4-15)14-6-18-17(22-8-14)10-23-24(18)11-12-5-16(20)9-21-7-12/h1-10H,11H2
InChIKeyYKWFQLOBKYVCLB-UHFFFAOYSA-N
MW338.77 g/mol
LogP4.33
Rot. Bonds3

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

6-(4-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389263) has the molecular formula C18H12ClFN4 and a molecular weight of 338.77 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389263
Molecular FormulaC18H12ClFN4
Molecular Weight338.77 g/mol
Exact Mass338.07
IUPAC Name6-(4-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1cncc(Cn2ncc3ncc(-c4ccc(Cl)cc4)cc32)c1
InChIInChI=1S/C18H12ClFN4/c19-15-3-1-13(2-4-15)14-6-18-17(22-8-14)10-23-24(18)11-12-5-16(20)9-21-7-12/h1-10H,11H2
InChIKeyYKWFQLOBKYVCLB-UHFFFAOYSA-N
XLogP4.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(4-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155389263) is 6-(4-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(4-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(4-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is Fc1cncc(Cn2ncc3ncc(-c4ccc(Cl)cc4)cc32)c1.
What is the InChIKey of 6-(4-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is YKWFQLOBKYVCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4/c19-15-3-1-13(2-4-15)14-6-18-17(22-8-14)10-23-24(18)11-12-5-16(20)9-21-7-12/h1-10H,11H2.
What are the key properties of 6-(4-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-(4-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 338.77 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).