3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine

C18H20N4O — CID 171543725

IUPAC3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine
SMILESCOc1cccc(-c2nn(C3CCCNC3)c3ncccc23)c1
InChIInChI=1S/C18H20N4O/c1-23-15-7-2-5-13(11-15)17-16-8-4-10-20-18(16)22(21-17)14-6-3-9-19-12-14/h2,4-5,7-8,10-11,14,19H,3,6,9,12H2,1H3
InChIKeyBFHJXPICUVSUTK-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.03
Rot. Bonds3

About 3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine

3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine (PubChem CID 171543725) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine
PubChem CID171543725
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine
SMILESCOc1cccc(-c2nn(C3CCCNC3)c3ncccc23)c1
InChIInChI=1S/C18H20N4O/c1-23-15-7-2-5-13(11-15)17-16-8-4-10-20-18(16)22(21-17)14-6-3-9-19-12-14/h2,4-5,7-8,10-11,14,19H,3,6,9,12H2,1H3
InChIKeyBFHJXPICUVSUTK-UHFFFAOYSA-N
XLogP3.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine?
The IUPAC name of 3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine (CID 171543725) is 3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine is COc1cccc(-c2nn(C3CCCNC3)c3ncccc23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine?
The InChIKey is BFHJXPICUVSUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-23-15-7-2-5-13(11-15)17-16-8-4-10-20-18(16)22(21-17)14-6-3-9-19-12-14/h2,4-5,7-8,10-11,14,19H,3,6,9,12H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine?
3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine has a molecular weight of 308.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-piperidin-3-ylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 171543725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).