3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine

C21H21FN6O — CID 121241452

IUPAC3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1c(F)cccc1-c1[nH]nc2ncc(-c3cnn(C4CCNCC4)c3)cc12
InChIInChI=1S/C21H21FN6O/c1-29-20-16(3-2-4-18(20)22)19-17-9-13(10-24-21(17)27-26-19)14-11-25-28(12-14)15-5-7-23-8-6-15/h2-4,9-12,15,23H,5-8H2,1H3,(H,24,26,27)
InChIKeyKRWWBURDLFUVBM-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.56
Rot. Bonds4

About 3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine

3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 121241452) has the molecular formula C21H21FN6O and a molecular weight of 392.44 g/mol. Its IUPAC name is 3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID121241452
Molecular FormulaC21H21FN6O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1c(F)cccc1-c1[nH]nc2ncc(-c3cnn(C4CCNCC4)c3)cc12
InChIInChI=1S/C21H21FN6O/c1-29-20-16(3-2-4-18(20)22)19-17-9-13(10-24-21(17)27-26-19)14-11-25-28(12-14)15-5-7-23-8-6-15/h2-4,9-12,15,23H,5-8H2,1H3,(H,24,26,27)
InChIKeyKRWWBURDLFUVBM-UHFFFAOYSA-N
XLogP3.56
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine (CID 121241452) is 3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine is COc1c(F)cccc1-c1[nH]nc2ncc(-c3cnn(C4CCNCC4)c3)cc12.
What is the InChIKey of 3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is KRWWBURDLFUVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O/c1-29-20-16(3-2-4-18(20)22)19-17-9-13(10-24-21(17)27-26-19)14-11-25-28(12-14)15-5-7-23-8-6-15/h2-4,9-12,15,23H,5-8H2,1H3,(H,24,26,27).
What are the key properties of 3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine?
3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 392.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 121241452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).