1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine

C12H16N4 — CID 66509747

IUPAC1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine
SMILESCn1nc(C2CCNCC2)c2cccnc21
InChIInChI=1S/C12H16N4/c1-16-12-10(3-2-6-14-12)11(15-16)9-4-7-13-8-5-9/h2-3,6,9,13H,4-5,7-8H2,1H3
InChIKeyJZVFOWRKQWZNFC-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.44
Rot. Bonds1

About 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine

1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine (PubChem CID 66509747) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine
PubChem CID66509747
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine
SMILESCn1nc(C2CCNCC2)c2cccnc21
InChIInChI=1S/C12H16N4/c1-16-12-10(3-2-6-14-12)11(15-16)9-4-7-13-8-5-9/h2-3,6,9,13H,4-5,7-8H2,1H3
InChIKeyJZVFOWRKQWZNFC-UHFFFAOYSA-N
XLogP1.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine?
The IUPAC name of 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine (CID 66509747) is 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine is Cn1nc(C2CCNCC2)c2cccnc21.
What is the InChIKey of 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine?
The InChIKey is JZVFOWRKQWZNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-16-12-10(3-2-6-14-12)11(15-16)9-4-7-13-8-5-9/h2-3,6,9,13H,4-5,7-8H2,1H3.
What are the key properties of 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine?
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine has a molecular weight of 216.29 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 66509747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).