1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione

C17H16N6O2 — CID 141085525

IUPAC1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCNCC1)c1c[nH]c2c(-c3cnccn3)nccc12
InChIInChI=1S/C17H16N6O2/c24-16(17(25)23-7-5-18-6-8-23)12-9-22-14-11(12)1-2-21-15(14)13-10-19-3-4-20-13/h1-4,9-10,18,22H,5-8H2
InChIKeyBYARXGUBBLBVQU-UHFFFAOYSA-N
MW336.36 g/mol
LogP0.63
Rot. Bonds3

About 1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione

1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (PubChem CID 141085525) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
PubChem CID141085525
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCNCC1)c1c[nH]c2c(-c3cnccn3)nccc12
InChIInChI=1S/C17H16N6O2/c24-16(17(25)23-7-5-18-6-8-23)12-9-22-14-11(12)1-2-21-15(14)13-10-19-3-4-20-13/h1-4,9-10,18,22H,5-8H2
InChIKeyBYARXGUBBLBVQU-UHFFFAOYSA-N
XLogP0.63
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione
CID 141071356
N-[5-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]pyrazin-2-yl]methanesulfonamide
CID 67152686
1-[7-(6-aminopyrazin-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]ethane-1,2-dione;ethane
CID 142160286
2-[1-[2-oxo-2-(7-pyrazin-2-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)acetyl]piperidin-4-ylidene]-2-phenylacetonitrile
CID 5279909
1-(4-benzoylpiperazin-1-yl)-2-(7-bromo-4-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione;1-(4-benzoylpiperazin-1-yl)-2-(4-chloro-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione;tributyl(pyrazin-2-yl)stannane
CID 161340294
1-[4-methoxy-7-(6-oxo-1H-pyrazin-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-piperazin-1-ylethane-1,2-dione
CID 91011492
1-(7-bromo-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 142160233
4-fluoro-3-(2-oxo-2-piperazin-1-ylacetyl)-1H-pyrrolo[2,3-c]pyridine-7-carbaldehyde
CID 142987022
1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[3-methyl-4-(pyridine-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 67478564
1-(4-benzoyl-2-methylidenepiperazin-1-yl)-2-[7-(6-oxo-1H-pyridin-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 142160234
1-(4-benzoylpiperazin-1-yl)-2-(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)ethane-1,2-dione
CID 59729291
CID 89114397
CID 89114397

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione?
The IUPAC name of 1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (CID 141085525) is 1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione is O=C(C(=O)N1CCNCC1)c1c[nH]c2c(-c3cnccn3)nccc12.
What is the InChIKey of 1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione?
The InChIKey is BYARXGUBBLBVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c24-16(17(25)23-7-5-18-6-8-23)12-9-22-14-11(12)1-2-21-15(14)13-10-19-3-4-20-13/h1-4,9-10,18,22H,5-8H2.
What are the key properties of 1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione?
1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione has a molecular weight of 336.36 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione is sourced from PubChem (CID 141085525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).