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

C12H18Cl2N4 — CID 71298711

IUPAC1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride
SMILESCl.Cl.Cn1nc(C2CCNCC2)c2cccnc21
InChIInChI=1S/C12H16N4.2ClH/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;2*1H
InChIKeyCTHFCIVHVIGYOB-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.28
Rot. Bonds1

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

1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride (PubChem CID 71298711) has the molecular formula C12H18Cl2N4 and a molecular weight of 289.21 g/mol. Its IUPAC name is 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride.

Molecular Properties

Compound Name1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride
PubChem CID71298711
Molecular FormulaC12H18Cl2N4
Molecular Weight289.21 g/mol
Exact Mass288.09
IUPAC Name1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride
SMILESCl.Cl.Cn1nc(C2CCNCC2)c2cccnc21
InChIInChI=1S/C12H16N4.2ClH/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;2*1H
InChIKeyCTHFCIVHVIGYOB-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.28
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;dihydrochloride?
The IUPAC name of 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride (CID 71298711) is 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride.
What is the SMILES notation for 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride?
The canonical SMILES for 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride is Cl.Cl.Cn1nc(C2CCNCC2)c2cccnc21.
What is the InChIKey of 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride?
The InChIKey is CTHFCIVHVIGYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4.2ClH/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;2*1H.
What are the key properties of 1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride?
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride has a molecular weight of 289.21 g/mol, XLogP of 2.28, 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;dihydrochloride is sourced from PubChem (CID 71298711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).