3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine

C24H17FN4S — CID 151152783

IUPAC3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
SMILESCSc1ccc(-n2nc3ncc(-c4ccncc4)cc3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H17FN4S/c1-30-21-8-6-20(7-9-21)29-23(17-2-4-19(25)5-3-17)22-14-18(15-27-24(22)28-29)16-10-12-26-13-11-16/h2-15H,1H3
InChIKeyMYOQEXWDWKITIT-UHFFFAOYSA-N
MW412.49 g/mol
LogP6.01
Rot. Bonds4

About 3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine

3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine (PubChem CID 151152783) has the molecular formula C24H17FN4S and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
PubChem CID151152783
Molecular FormulaC24H17FN4S
Molecular Weight412.49 g/mol
Exact Mass412.12
IUPAC Name3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine
SMILESCSc1ccc(-n2nc3ncc(-c4ccncc4)cc3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C24H17FN4S/c1-30-21-8-6-20(7-9-21)29-23(17-2-4-19(25)5-3-17)22-14-18(15-27-24(22)28-29)16-10-12-26-13-11-16/h2-15H,1H3
InChIKeyMYOQEXWDWKITIT-UHFFFAOYSA-N
XLogP6.01
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrazol-4-yl]pyridine
CID 15837968
1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole-3-carboxamide
CID 10830058
3-(fluoromethyl)-1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazole
CID 10781681
1-[1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)pyrazol-3-yl]-N,N-dimethylmethanamine
CID 23174225
1-(4-fluorophenyl)-5-(4-methylsulfanylphenyl)-1,2,4-triazole-3-carbonitrile
CID 10781262
1,3,5-tris(4-fluorophenyl)-4-methylpyrazole
CID 19587590
9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole
CID 23534185
2-(4-methylsulfanylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 19022699
1-propan-2-yl-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-one
CID 23462984
6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 12784298
9-[4-[4-[3,6-bis(4-fluorophenyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(4-fluorophenyl)carbazole;ethane
CID 142805188
4-[4-bromo-5-(4-fluorophenyl)-2-methylpyrazol-3-yl]pyridine
CID 90240870

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine (CID 151152783) is 3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine is CSc1ccc(-n2nc3ncc(-c4ccncc4)cc3c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
The InChIKey is MYOQEXWDWKITIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4S/c1-30-21-8-6-20(7-9-21)29-23(17-2-4-19(25)5-3-17)22-14-18(15-27-24(22)28-29)16-10-12-26-13-11-16/h2-15H,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine?
3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine has a molecular weight of 412.49 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 151152783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).