3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride

C11H18Cl4N4 — CID 171687240

IUPAC3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.c1cnc2n[nH]c(C3CCCNC3)c2c1
InChIInChI=1S/C11H14N4.4ClH/c1-3-8(7-12-5-1)10-9-4-2-6-13-11(9)15-14-10;;;;/h2,4,6,8,12H,1,3,5,7H2,(H,13,14,15);4*1H
InChIKeyXGZIDRBATVEGMZ-UHFFFAOYSA-N
MW348.11 g/mol
LogP3.11
Rot. Bonds1

About 3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride

3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride (PubChem CID 171687240) has the molecular formula C11H18Cl4N4 and a molecular weight of 348.11 g/mol. Its IUPAC name is 3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride
PubChem CID171687240
Molecular FormulaC11H18Cl4N4
Molecular Weight348.11 g/mol
Exact Mass346.03
IUPAC Name3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.c1cnc2n[nH]c(C3CCCNC3)c2c1
InChIInChI=1S/C11H14N4.4ClH/c1-3-8(7-12-5-1)10-9-4-2-6-13-11(9)15-14-10;;;;/h2,4,6,8,12H,1,3,5,7H2,(H,13,14,15);4*1H
InChIKeyXGZIDRBATVEGMZ-UHFFFAOYSA-N
XLogP3.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.11
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
2-hydroxy-1-[(3R)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 125008304
3-[1-(pyridin-4-ylmethyl)azetidin-3-yl]-2H-pyrazolo[3,4-b]pyridine
CID 95844854
4-[(3S)-piperidin-3-yl]-N-pyrimidin-2-ylpyrimidin-2-amine
CID 125011656
1-piperidin-3-ylisoquinoline
CID 84782419
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
4-[(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1,4-oxazepane;hydrochloride
CID 118741935
1-[(2-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]piperidin-4-ol
CID 110234744
N-[(3R)-piperidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71637328
2-bromo-6-piperidin-3-ylpyridine;dihydrochloride
CID 170905464
3-piperidin-3-ylpyridine-2-carbaldehyde
CID 175124211
2-piperidin-3-yloxy-1H-imidazo[4,5-b]pyridine;hydrochloride
CID 71637392

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride?
The IUPAC name of 3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride (CID 171687240) is 3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride?
The canonical SMILES for 3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride is Cl.Cl.Cl.Cl.c1cnc2n[nH]c(C3CCCNC3)c2c1.
What is the InChIKey of 3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride?
The InChIKey is XGZIDRBATVEGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.4ClH/c1-3-8(7-12-5-1)10-9-4-2-6-13-11(9)15-14-10;;;;/h2,4,6,8,12H,1,3,5,7H2,(H,13,14,15);4*1H.
What are the key properties of 3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride?
3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride has a molecular weight of 348.11 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride is sourced from PubChem (CID 171687240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).