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

C11H7ClN4O — CID 46782904

IUPAC6-(5-chloro-2-pyridinyl)-7H-pyrrolo[3,4-b]pyrazin-5-one
SMILESO=C1c2nccnc2CN1c1ccc(Cl)cn1
InChIInChI=1S/C11H7ClN4O/c12-7-1-2-9(15-5-7)16-6-8-10(11(16)17)14-4-3-13-8/h1-5H,6H2
InChIKeyZWMNDASTKOEZHE-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.69
Rot. Bonds1

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

6-(5-chloro-2-pyridinyl)-7H-pyrrolo[3,4-b]pyrazin-5-one (PubChem CID 46782904) has the molecular formula C11H7ClN4O and a molecular weight of 246.66 g/mol. Its IUPAC name is 6-(5-chloro-2-pyridinyl)-7H-pyrrolo[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name6-(5-chloro-2-pyridinyl)-7H-pyrrolo[3,4-b]pyrazin-5-one
PubChem CID46782904
Molecular FormulaC11H7ClN4O
Molecular Weight246.66 g/mol
Exact Mass246.03
IUPAC Name6-(5-chloro-2-pyridinyl)-7H-pyrrolo[3,4-b]pyrazin-5-one
SMILESO=C1c2nccnc2CN1c1ccc(Cl)cn1
InChIInChI=1S/C11H7ClN4O/c12-7-1-2-9(15-5-7)16-6-8-10(11(16)17)14-4-3-13-8/h1-5H,6H2
InChIKeyZWMNDASTKOEZHE-UHFFFAOYSA-N
XLogP1.69
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-pyridinyl)-7H-pyrrolo[3,4-b]pyrazin-5-one?
The IUPAC name of 6-(5-chloro-2-pyridinyl)-7H-pyrrolo[3,4-b]pyrazin-5-one (CID 46782904) is 6-(5-chloro-2-pyridinyl)-7H-pyrrolo[3,4-b]pyrazin-5-one.
What is the SMILES notation for 6-(5-chloro-2-pyridinyl)-7H-pyrrolo[3,4-b]pyrazin-5-one?
The canonical SMILES for 6-(5-chloro-2-pyridinyl)-7H-pyrrolo[3,4-b]pyrazin-5-one is O=C1c2nccnc2CN1c1ccc(Cl)cn1.
What is the InChIKey of 6-(5-chloro-2-pyridinyl)-7H-pyrrolo[3,4-b]pyrazin-5-one?
The InChIKey is ZWMNDASTKOEZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O/c12-7-1-2-9(15-5-7)16-6-8-10(11(16)17)14-4-3-13-8/h1-5H,6H2.
What are the key properties of 6-(5-chloro-2-pyridinyl)-7H-pyrrolo[3,4-b]pyrazin-5-one?
6-(5-chloro-2-pyridinyl)-7H-pyrrolo[3,4-b]pyrazin-5-one has a molecular weight of 246.66 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-pyridinyl)-7H-pyrrolo[3,4-b]pyrazin-5-one is sourced from PubChem (CID 46782904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).