4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

C22H24N6O2 — CID 89265978

IUPAC4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESC=C/C(=N\C=C(/C)Nc1ccc(-c2cc[nH]c(=O)c2)n2ccnc12)N1CCOCC1
InChIInChI=1S/C22H24N6O2/c1-3-20(27-10-12-30-13-11-27)25-15-16(2)26-18-4-5-19(28-9-8-24-22(18)28)17-6-7-23-21(29)14-17/h3-9,14-15,26H,1,10-13H2,2H3,(H,23,29)/b16-15+,25-20+
InChIKeyRQEWORXPUBHBJU-DEWWSIIASA-N
MW404.47 g/mol
LogP2.88
Rot. Bonds5

About 4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 89265978) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
PubChem CID89265978
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESC=C/C(=N\C=C(/C)Nc1ccc(-c2cc[nH]c(=O)c2)n2ccnc12)N1CCOCC1
InChIInChI=1S/C22H24N6O2/c1-3-20(27-10-12-30-13-11-27)25-15-16(2)26-18-4-5-19(28-9-8-24-22(18)28)17-6-7-23-21(29)14-17/h3-9,14-15,26H,1,10-13H2,2H3,(H,23,29)/b16-15+,25-20+
InChIKeyRQEWORXPUBHBJU-DEWWSIIASA-N
XLogP2.88
TPSA87.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (CID 89265978) is 4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is C=C/C(=N\C=C(/C)Nc1ccc(-c2cc[nH]c(=O)c2)n2ccnc12)N1CCOCC1.
What is the InChIKey of 4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The InChIKey is RQEWORXPUBHBJU-DEWWSIIASA-N. The full InChI is InChI=1S/C22H24N6O2/c1-3-20(27-10-12-30-13-11-27)25-15-16(2)26-18-4-5-19(28-9-8-24-22(18)28)17-6-7-23-21(29)14-17/h3-9,14-15,26H,1,10-13H2,2H3,(H,23,29)/b16-15+,25-20+.
What are the key properties of 4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 404.47 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[[(E)-1-(1-morpholin-4-ylprop-2-enylideneamino)prop-1-en-2-yl]amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 89265978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).