5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine

C19H13ClFN3 — CID 163234429

IUPAC5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine
SMILESCc1cc(-n2ncc3cc(-c4cccc(Cl)c4)cnc32)ccc1F
InChIInChI=1S/C19H13ClFN3/c1-12-7-17(5-6-18(12)21)24-19-15(11-23-24)8-14(10-22-19)13-3-2-4-16(20)9-13/h2-11H,1H3
InChIKeyYCFITNSTQZPNHD-UHFFFAOYSA-N
MW337.79 g/mol
LogP5.19
Rot. Bonds2

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

5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine (PubChem CID 163234429) has the molecular formula C19H13ClFN3 and a molecular weight of 337.79 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine
PubChem CID163234429
Molecular FormulaC19H13ClFN3
Molecular Weight337.79 g/mol
Exact Mass337.08
IUPAC Name5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine
SMILESCc1cc(-n2ncc3cc(-c4cccc(Cl)c4)cnc32)ccc1F
InChIInChI=1S/C19H13ClFN3/c1-12-7-17(5-6-18(12)21)24-19-15(11-23-24)8-14(10-22-19)13-3-2-4-16(20)9-13/h2-11H,1H3
InChIKeyYCFITNSTQZPNHD-UHFFFAOYSA-N
XLogP5.19
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.79
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine (CID 163234429) is 5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine is Cc1cc(-n2ncc3cc(-c4cccc(Cl)c4)cnc32)ccc1F.
What is the InChIKey of 5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine?
The InChIKey is YCFITNSTQZPNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3/c1-12-7-17(5-6-18(12)21)24-19-15(11-23-24)8-14(10-22-19)13-3-2-4-16(20)9-13/h2-11H,1H3.
What are the key properties of 5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine?
5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine has a molecular weight of 337.79 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 163234429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).