[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate

C13H9ClN4O3 — CID 11483541

IUPAC[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate
SMILESCC(=O)OC1c2nccnc2C(=O)N1c1ccc(Cl)cn1
InChIInChI=1S/C13H9ClN4O3/c1-7(19)21-13-11-10(15-4-5-16-11)12(20)18(13)9-3-2-8(14)6-17-9/h2-6,13H,1H3
InChIKeyCDKPEDZDDURJIN-UHFFFAOYSA-N
MW304.69 g/mol
LogP1.75
Rot. Bonds2

About [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate

[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate (PubChem CID 11483541) has the molecular formula C13H9ClN4O3 and a molecular weight of 304.69 g/mol. Its IUPAC name is [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate.

Molecular Properties

Compound Name[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate
PubChem CID11483541
Molecular FormulaC13H9ClN4O3
Molecular Weight304.69 g/mol
Exact Mass304.04
IUPAC Name[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate
SMILESCC(=O)OC1c2nccnc2C(=O)N1c1ccc(Cl)cn1
InChIInChI=1S/C13H9ClN4O3/c1-7(19)21-13-11-10(15-4-5-16-11)12(20)18(13)9-3-2-8(14)6-17-9/h2-6,13H,1H3
InChIKeyCDKPEDZDDURJIN-UHFFFAOYSA-N
XLogP1.75
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.69
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate?
The IUPAC name of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate (CID 11483541) is [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate.
What is the SMILES notation for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate?
The canonical SMILES for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate is CC(=O)OC1c2nccnc2C(=O)N1c1ccc(Cl)cn1.
What is the InChIKey of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate?
The InChIKey is CDKPEDZDDURJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O3/c1-7(19)21-13-11-10(15-4-5-16-11)12(20)18(13)9-3-2-8(14)6-17-9/h2-6,13H,1H3.
What are the key properties of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate?
[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate has a molecular weight of 304.69 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] acetate is sourced from PubChem (CID 11483541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).