2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C21H23N7O4 — CID 154994898

IUPAC2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCn1nc2cc(N3CCOc4cc(C(=O)N5CCN(C)C(=O)C5)cnc43)ccn2c1=O
InChIInChI=1S/C21H23N7O4/c1-3-28-21(31)27-5-4-15(11-17(27)23-28)26-8-9-32-16-10-14(12-22-19(16)26)20(30)25-7-6-24(2)18(29)13-25/h4-5,10-12H,3,6-9,13H2,1-2H3
InChIKeyGLJZPIXYKUVLNJ-UHFFFAOYSA-N
MW437.46 g/mol
LogP0.36
Rot. Bonds3

About 2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 154994898) has the molecular formula C21H23N7O4 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID154994898
Molecular FormulaC21H23N7O4
Molecular Weight437.46 g/mol
Exact Mass437.18
IUPAC Name2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCn1nc2cc(N3CCOc4cc(C(=O)N5CCN(C)C(=O)C5)cnc43)ccn2c1=O
InChIInChI=1S/C21H23N7O4/c1-3-28-21(31)27-5-4-15(11-17(27)23-28)26-8-9-32-16-10-14(12-22-19(16)26)20(30)25-7-6-24(2)18(29)13-25/h4-5,10-12H,3,6-9,13H2,1-2H3
InChIKeyGLJZPIXYKUVLNJ-UHFFFAOYSA-N
XLogP0.36
TPSA105.28 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 154994898) is 2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCn1nc2cc(N3CCOc4cc(C(=O)N5CCN(C)C(=O)C5)cnc43)ccn2c1=O.
What is the InChIKey of 2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is GLJZPIXYKUVLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O4/c1-3-28-21(31)27-5-4-15(11-17(27)23-28)26-8-9-32-16-10-14(12-22-19(16)26)20(30)25-7-6-24(2)18(29)13-25/h4-5,10-12H,3,6-9,13H2,1-2H3.
What are the key properties of 2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 437.46 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 154994898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).