[6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate

C17H18N6O3 — CID 23343638

IUPAC[6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate
SMILESCc1ccc(N2C(=O)c3nccnc3C2OC(=O)N2CCNCC2)nc1
InChIInChI=1S/C17H18N6O3/c1-11-2-3-12(21-10-11)23-15(24)13-14(20-5-4-19-13)16(23)26-17(25)22-8-6-18-7-9-22/h2-5,10,16,18H,6-9H2,1H3
InChIKeyGACKYEQBKQEIRY-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.88
Rot. Bonds2

About [6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate

[6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate (PubChem CID 23343638) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is [6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate.

Molecular Properties

Compound Name[6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate
PubChem CID23343638
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name[6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate
SMILESCc1ccc(N2C(=O)c3nccnc3C2OC(=O)N2CCNCC2)nc1
InChIInChI=1S/C17H18N6O3/c1-11-2-3-12(21-10-11)23-15(24)13-14(20-5-4-19-13)16(23)26-17(25)22-8-6-18-7-9-22/h2-5,10,16,18H,6-9H2,1H3
InChIKeyGACKYEQBKQEIRY-UHFFFAOYSA-N
XLogP0.88
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate?
The IUPAC name of [6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate (CID 23343638) is [6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate.
What is the SMILES notation for [6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate?
The canonical SMILES for [6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate is Cc1ccc(N2C(=O)c3nccnc3C2OC(=O)N2CCNCC2)nc1.
What is the InChIKey of [6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate?
The InChIKey is GACKYEQBKQEIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-11-2-3-12(21-10-11)23-15(24)13-14(20-5-4-19-13)16(23)26-17(25)22-8-6-18-7-9-22/h2-5,10,16,18H,6-9H2,1H3.
What are the key properties of [6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate?
[6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate has a molecular weight of 354.37 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-methyl-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate is sourced from PubChem (CID 23343638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).