5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride

C10H14Cl3N5 — CID 68761356

IUPAC5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride
SMILESCl.Cl.Clc1cnc2[nH]ncc2c1N1CCNCC1
InChIInChI=1S/C10H12ClN5.2ClH/c11-8-6-13-10-7(5-14-15-10)9(8)16-3-1-12-2-4-16;;/h5-6,12H,1-4H2,(H,13,14,15);2*1H
InChIKeyJVZKNPOGVMZJBZ-UHFFFAOYSA-N
MW310.62 g/mol
LogP1.86
Rot. Bonds1

About 5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride

5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride (PubChem CID 68761356) has the molecular formula C10H14Cl3N5 and a molecular weight of 310.62 g/mol. Its IUPAC name is 5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride.

Molecular Properties

Compound Name5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride
PubChem CID68761356
Molecular FormulaC10H14Cl3N5
Molecular Weight310.62 g/mol
Exact Mass309.03
IUPAC Name5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride
SMILESCl.Cl.Clc1cnc2[nH]ncc2c1N1CCNCC1
InChIInChI=1S/C10H12ClN5.2ClH/c11-8-6-13-10-7(5-14-15-10)9(8)16-3-1-12-2-4-16;;/h5-6,12H,1-4H2,(H,13,14,15);2*1H
InChIKeyJVZKNPOGVMZJBZ-UHFFFAOYSA-N
XLogP1.86
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.62
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride?
The IUPAC name of 5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride (CID 68761356) is 5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride.
What is the SMILES notation for 5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride?
The canonical SMILES for 5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride is Cl.Cl.Clc1cnc2[nH]ncc2c1N1CCNCC1.
What is the InChIKey of 5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride?
The InChIKey is JVZKNPOGVMZJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5.2ClH/c11-8-6-13-10-7(5-14-15-10)9(8)16-3-1-12-2-4-16;;/h5-6,12H,1-4H2,(H,13,14,15);2*1H.
What are the key properties of 5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride?
5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride has a molecular weight of 310.62 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-piperazin-1-yl-1H-pyrazolo[3,4-b]pyridine;dihydrochloride is sourced from PubChem (CID 68761356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).