1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid

C17H22N4O2 — CID 90488033

IUPAC1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid
SMILESCCc1nc2cc(N3CCCC(C(=O)O)C3)cnc2nc1CC
InChIInChI=1S/C17H22N4O2/c1-3-13-14(4-2)20-16-15(19-13)8-12(9-18-16)21-7-5-6-11(10-21)17(22)23/h8-9,11H,3-7,10H2,1-2H3,(H,22,23)
InChIKeyUOJYQLUGAQLSDJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.45
Rot. Bonds4

About 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid

1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid (PubChem CID 90488033) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid
PubChem CID90488033
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid
SMILESCCc1nc2cc(N3CCCC(C(=O)O)C3)cnc2nc1CC
InChIInChI=1S/C17H22N4O2/c1-3-13-14(4-2)20-16-15(19-13)8-12(9-18-16)21-7-5-6-11(10-21)17(22)23/h8-9,11H,3-7,10H2,1-2H3,(H,22,23)
InChIKeyUOJYQLUGAQLSDJ-UHFFFAOYSA-N
XLogP2.45
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid (CID 90488033) is 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid is CCc1nc2cc(N3CCCC(C(=O)O)C3)cnc2nc1CC.
What is the InChIKey of 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid?
The InChIKey is UOJYQLUGAQLSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-13-14(4-2)20-16-15(19-13)8-12(9-18-16)21-7-5-6-11(10-21)17(22)23/h8-9,11H,3-7,10H2,1-2H3,(H,22,23).
What are the key properties of 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid?
1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid has a molecular weight of 314.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 90488033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).