5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine

C11H13BrN4 — CID 165355749

IUPAC5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESBrc1cnc2n[nH]c(C3CCNCC3)c2c1
InChIInChI=1S/C11H13BrN4/c12-8-5-9-10(7-1-3-13-4-2-7)15-16-11(9)14-6-8/h5-7,13H,1-4H2,(H,14,15,16)
InChIKeyFNNRBOKWMRWSIP-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.19
Rot. Bonds1

About 5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine

5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 165355749) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is 5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID165355749
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESBrc1cnc2n[nH]c(C3CCNCC3)c2c1
InChIInChI=1S/C11H13BrN4/c12-8-5-9-10(7-1-3-13-4-2-7)15-16-11(9)14-6-8/h5-7,13H,1-4H2,(H,14,15,16)
InChIKeyFNNRBOKWMRWSIP-UHFFFAOYSA-N
XLogP2.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-piperidin-4-yl-2H-indazole
CID 14032607
3-cyclopropyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 83881393
4-bromo-2-piperidin-4-ylpyridine
CID 76848192
3-bromo-5-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
CID 82569112
5-bromo-3-(6-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 162691620
5-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-4-(2,3-difluorocyclohexa-2,4-dien-1-yl)-1,2-oxazole
CID 70335464
4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 84604286
2,6-dibromo-4-methylpyrido[2,3-d]pyrimidine
CID 133055440
4-[5-(4-bromothiophen-2-yl)-1H-imidazol-2-yl]piperidine
CID 82308947
2-(5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 137056912
4-[5-(3-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43650774
3-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine;tetrahydrochloride
CID 171687240

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine (CID 165355749) is 5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine is Brc1cnc2n[nH]c(C3CCNCC3)c2c1.
What is the InChIKey of 5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is FNNRBOKWMRWSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4/c12-8-5-9-10(7-1-3-13-4-2-7)15-16-11(9)14-6-8/h5-7,13H,1-4H2,(H,14,15,16).
What are the key properties of 5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?
5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 281.16 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 165355749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).