2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine

C11H14N4 — CID 96761843

IUPAC2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]c(N3CCNCC3)cc2c1
InChIInChI=1S/C11H14N4/c1-2-9-8-10(14-11(9)13-3-1)15-6-4-12-5-7-15/h1-3,8,12H,4-7H2,(H,13,14)
InChIKeyVOPLIIRKSIKHEW-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.97
Rot. Bonds1

About 2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine

2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 96761843) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID96761843
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]c(N3CCNCC3)cc2c1
InChIInChI=1S/C11H14N4/c1-2-9-8-10(14-11(9)13-3-1)15-6-4-12-5-7-15/h1-3,8,12H,4-7H2,(H,13,14)
InChIKeyVOPLIIRKSIKHEW-UHFFFAOYSA-N
XLogP0.97
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
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2-(1,4-diazepan-1-yl)-1H-imidazo[4,5-b]pyridine
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2-piperazin-1-yl-[1,3]thiazolo[4,5-b]pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine (CID 96761843) is 2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine is c1cnc2[nH]c(N3CCNCC3)cc2c1.
What is the InChIKey of 2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VOPLIIRKSIKHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-9-8-10(14-11(9)13-3-1)15-6-4-12-5-7-15/h1-3,8,12H,4-7H2,(H,13,14).
What are the key properties of 2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 202.26 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 96761843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).