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

C11H14N4 — CID 68568912

IUPAC6-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc2ccc(N3CCNCC3)nc2[nH]1
InChIInChI=1S/C11H14N4/c1-2-10(15-7-5-12-6-8-15)14-11-9(1)3-4-13-11/h1-4,12H,5-8H2,(H,13,14)
InChIKeyLJRWQUDNKBCSSJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.97
Rot. Bonds1

About 6-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine

6-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 68568912) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID68568912
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name6-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc2ccc(N3CCNCC3)nc2[nH]1
InChIInChI=1S/C11H14N4/c1-2-10(15-7-5-12-6-8-15)14-11-9(1)3-4-13-11/h1-4,12H,5-8H2,(H,13,14)
InChIKeyLJRWQUDNKBCSSJ-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

6-[4-(thian-4-yl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 56913520
N,N-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazine-1-sulfonamide
CID 56916773
4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine
CID 56914697
(2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
CID 56888603
6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 56886048
6-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 56896281
3-benzyl-7-(1H-pyrrolo[2,3-b]pyridin-6-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 56895660
N-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-6-carboxamide
CID 118227108
N-iodo-6-piperazin-1-ylpyridin-2-amine
CID 166146222
(5S)-7-methyl-2-(1H-pyrrolo[2,3-b]pyridin-6-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95715580
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80838050

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine (CID 68568912) is 6-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine is c1cc2ccc(N3CCNCC3)nc2[nH]1.
What is the InChIKey of 6-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LJRWQUDNKBCSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-2-10(15-7-5-12-6-8-15)14-11-9(1)3-4-13-11/h1-4,12H,5-8H2,(H,13,14).
What are the key properties of 6-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
6-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 6-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 68568912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).