1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione

C20H19N5O2 — CID 89494440

IUPAC1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione
SMILESC=Cc1ccc2ncc(-c3ccc(N4CCN(CC)C(=O)C4=O)cc3)n2n1
InChIInChI=1S/C20H19N5O2/c1-3-15-7-10-18-21-13-17(25(18)22-15)14-5-8-16(9-6-14)24-12-11-23(4-2)19(26)20(24)27/h3,5-10,13H,1,4,11-12H2,2H3
InChIKeyFLLYXZZATPBGRX-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.23
Rot. Bonds4

About 1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione

1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione (PubChem CID 89494440) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione
PubChem CID89494440
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione
SMILESC=Cc1ccc2ncc(-c3ccc(N4CCN(CC)C(=O)C4=O)cc3)n2n1
InChIInChI=1S/C20H19N5O2/c1-3-15-7-10-18-21-13-17(25(18)22-15)14-5-8-16(9-6-14)24-12-11-23(4-2)19(26)20(24)27/h3,5-10,13H,1,4,11-12H2,2H3
InChIKeyFLLYXZZATPBGRX-UHFFFAOYSA-N
XLogP2.23
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione?
The IUPAC name of 1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione (CID 89494440) is 1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione.
What is the SMILES notation for 1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione?
The canonical SMILES for 1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione is C=Cc1ccc2ncc(-c3ccc(N4CCN(CC)C(=O)C4=O)cc3)n2n1.
What is the InChIKey of 1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione?
The InChIKey is FLLYXZZATPBGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-3-15-7-10-18-21-13-17(25(18)22-15)14-5-8-16(9-6-14)24-12-11-23(4-2)19(26)20(24)27/h3,5-10,13H,1,4,11-12H2,2H3.
What are the key properties of 1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione?
1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione has a molecular weight of 361.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-ethenylimidazo[1,2-b]pyridazin-3-yl)phenyl]-4-ethylpiperazine-2,3-dione is sourced from PubChem (CID 89494440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).