1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione

C13H13ClN4O2 — CID 141071356

IUPAC1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCNCC1)c1c[nH]c2c(Cl)ccnc12
InChIInChI=1S/C13H13ClN4O2/c14-9-1-2-16-10-8(7-17-11(9)10)12(19)13(20)18-5-3-15-4-6-18/h1-2,7,15,17H,3-6H2
InChIKeyRDZIHXFQOQMNFA-UHFFFAOYSA-N
MW292.73 g/mol
LogP0.83
Rot. Bonds2

About 1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione

1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione (PubChem CID 141071356) has the molecular formula C13H13ClN4O2 and a molecular weight of 292.73 g/mol. Its IUPAC name is 1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione
PubChem CID141071356
Molecular FormulaC13H13ClN4O2
Molecular Weight292.73 g/mol
Exact Mass292.07
IUPAC Name1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCNCC1)c1c[nH]c2c(Cl)ccnc12
InChIInChI=1S/C13H13ClN4O2/c14-9-1-2-16-10-8(7-17-11(9)10)12(19)13(20)18-5-3-15-4-6-18/h1-2,7,15,17H,3-6H2
InChIKeyRDZIHXFQOQMNFA-UHFFFAOYSA-N
XLogP0.83
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-phenylacetonitrile
CID 5279908
1-piperazin-1-yl-2-(7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 141085525
CID 160653959
CID 160653959
4-fluoro-3-(2-oxo-2-piperazin-1-ylacetyl)-1H-pyrrolo[2,3-c]pyridine-7-carbaldehyde
CID 142987022
CID 89114397
CID 89114397
potassium;1-(4-benzoylpiperazin-1-yl)-2-(7-chloro-4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione;2-(7-chloro-4-methyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetate;phenyl(piperazin-1-yl)methanone
CID 158838679
1-(7-bromo-4-methoxy-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione
CID 70934773
1-(4-benzoylpiperazin-1-yl)-2-[7-(6-methoxy-2-pyridinyl)-1H-pyrrolo[3,2-b]pyridin-3-yl]ethane-1,2-dione
CID 5280254
1-(5,6-dihydro-1H-indol-3-yl)-2-piperazin-1-ylethane-1,2-dione;ethane
CID 142277447
(5-chloro-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 82277575
N-(2,3-dichloro-4-pyridinyl)-2-oxo-2-piperazin-1-ylacetamide
CID 87690825
1-(4-benzoylpiperazin-1-yl)-2-(7-bromo-4-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 59693927

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione?
The IUPAC name of 1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione (CID 141071356) is 1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione is O=C(C(=O)N1CCNCC1)c1c[nH]c2c(Cl)ccnc12.
What is the InChIKey of 1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione?
The InChIKey is RDZIHXFQOQMNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O2/c14-9-1-2-16-10-8(7-17-11(9)10)12(19)13(20)18-5-3-15-4-6-18/h1-2,7,15,17H,3-6H2.
What are the key properties of 1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione?
1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione has a molecular weight of 292.73 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl)-2-piperazin-1-ylethane-1,2-dione is sourced from PubChem (CID 141071356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).