7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione

C17H23BrN4O2 — CID 175956793

IUPAC7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CCN(C(C)(C)C)CC2)c2ncc(Br)cc21
InChIInChI=1S/C17H23BrN4O2/c1-17(2,3)21-7-5-12(6-8-21)22-14-13(9-11(18)10-19-14)20(4)15(23)16(22)24/h9-10,12H,5-8H2,1-4H3
InChIKeyUBKPTSWOXUJJDL-UHFFFAOYSA-N
MW395.30 g/mol
LogP2.29
Rot. Bonds1

About 7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione

7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 175956793) has the molecular formula C17H23BrN4O2 and a molecular weight of 395.30 g/mol. Its IUPAC name is 7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione
PubChem CID175956793
Molecular FormulaC17H23BrN4O2
Molecular Weight395.30 g/mol
Exact Mass394.10
IUPAC Name7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CCN(C(C)(C)C)CC2)c2ncc(Br)cc21
InChIInChI=1S/C17H23BrN4O2/c1-17(2,3)21-7-5-12(6-8-21)22-14-13(9-11(18)10-19-14)20(4)15(23)16(22)24/h9-10,12H,5-8H2,1-4H3
InChIKeyUBKPTSWOXUJJDL-UHFFFAOYSA-N
XLogP2.29
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione (CID 175956793) is 7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione is Cn1c(=O)c(=O)n(C2CCN(C(C)(C)C)CC2)c2ncc(Br)cc21.
What is the InChIKey of 7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is UBKPTSWOXUJJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O2/c1-17(2,3)21-7-5-12(6-8-21)22-14-13(9-11(18)10-19-14)20(4)15(23)16(22)24/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 395.30 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(1-tert-butylpiperidin-4-yl)-1-methylpyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 175956793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).