3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine

C24H24FN5O — CID 162691586

IUPAC3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cccc(F)c1-c1[nH]nc2ncc(-c3ccc(N4CCN(C)CC4)cc3)cc12
InChIInChI=1S/C24H24FN5O/c1-29-10-12-30(13-11-29)18-8-6-16(7-9-18)17-14-19-23(27-28-24(19)26-15-17)22-20(25)4-3-5-21(22)31-2/h3-9,14-15H,10-13H2,1-2H3,(H,26,27,28)
InChIKeyAZTDWTIFDYTDQJ-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.19
Rot. Bonds4

About 3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine

3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 162691586) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID162691586
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1cccc(F)c1-c1[nH]nc2ncc(-c3ccc(N4CCN(C)CC4)cc3)cc12
InChIInChI=1S/C24H24FN5O/c1-29-10-12-30(13-11-29)18-8-6-16(7-9-18)17-14-19-23(27-28-24(19)26-15-17)22-20(25)4-3-5-21(22)31-2/h3-9,14-15H,10-13H2,1-2H3,(H,26,27,28)
InChIKeyAZTDWTIFDYTDQJ-UHFFFAOYSA-N
XLogP4.19
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine (CID 162691586) is 3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine is COc1cccc(F)c1-c1[nH]nc2ncc(-c3ccc(N4CCN(C)CC4)cc3)cc12.
What is the InChIKey of 3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is AZTDWTIFDYTDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-29-10-12-30(13-11-29)18-8-6-16(7-9-18)17-14-19-23(27-28-24(19)26-15-17)22-20(25)4-3-5-21(22)31-2/h3-9,14-15H,10-13H2,1-2H3,(H,26,27,28).
What are the key properties of 3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine?
3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 417.49 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-6-methoxyphenyl)-5-[4-(4-methylpiperazin-1-yl)phenyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162691586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).