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

C20H15ClN4O3 — CID 3249465

IUPAC[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OC1c2nccnc2C(=O)N1c1ccc(Cl)cn1
InChIInChI=1S/C20H15ClN4O3/c21-14-7-8-15(24-12-14)25-19(27)17-18(23-11-10-22-17)20(25)28-16(26)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-12,20H,6,9H2
InChIKeyMOJXFWQCHXNWPW-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.36
Rot. Bonds5

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

[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-phenylpropanoate (PubChem CID 3249465) has the molecular formula C20H15ClN4O3 and a molecular weight of 394.82 g/mol. Its IUPAC name is [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-phenylpropanoate.

Molecular Properties

Compound Name[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-phenylpropanoate
PubChem CID3249465
Molecular FormulaC20H15ClN4O3
Molecular Weight394.82 g/mol
Exact Mass394.08
IUPAC Name[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OC1c2nccnc2C(=O)N1c1ccc(Cl)cn1
InChIInChI=1S/C20H15ClN4O3/c21-14-7-8-15(24-12-14)25-19(27)17-18(23-11-10-22-17)20(25)28-16(26)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-12,20H,6,9H2
InChIKeyMOJXFWQCHXNWPW-UHFFFAOYSA-N
XLogP3.36
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.36
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] 3-phenylpropanoate?
The IUPAC name of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-phenylpropanoate (CID 3249465) is [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-phenylpropanoate.
What is the SMILES notation for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-phenylpropanoate?
The canonical SMILES for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-phenylpropanoate is O=C(CCc1ccccc1)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] 3-phenylpropanoate?
The InChIKey is MOJXFWQCHXNWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3/c21-14-7-8-15(24-12-14)25-19(27)17-18(23-11-10-22-17)20(25)28-16(26)9-6-13-4-2-1-3-5-13/h1-5,7-8,10-12,20H,6,9H2.
What are the key properties of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-phenylpropanoate?
[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 3-phenylpropanoate has a molecular weight of 394.82 g/mol, XLogP of 3.36, 5 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] 3-phenylpropanoate is sourced from PubChem (CID 3249465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).