(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate

C24H25N5O4 — CID 6057810

IUPAC(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate
SMILESCc1nc2ccccn2c1/C([O-])=C1\C(=O)C(=O)N(CC[NH+]2CCOCC2)C1c1cccnc1
InChIInChI=1S/C24H25N5O4/c1-16-20(28-8-3-2-6-18(28)26-16)22(30)19-21(17-5-4-7-25-15-17)29(24(32)23(19)31)10-9-27-11-13-33-14-12-27/h2-8,15,21,30H,9-14H2,1H3/b22-19+
InChIKeyLXOWYNDEOOISHQ-ZBJSNUHESA-N
MW447.50 g/mol
LogP-0.82
Rot. Bonds5

About (E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate

(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate (PubChem CID 6057810) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is (E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate.

Molecular Properties

Compound Name(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate
PubChem CID6057810
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate
SMILESCc1nc2ccccn2c1/C([O-])=C1\C(=O)C(=O)N(CC[NH+]2CCOCC2)C1c1cccnc1
InChIInChI=1S/C24H25N5O4/c1-16-20(28-8-3-2-6-18(28)26-16)22(30)19-21(17-5-4-7-25-15-17)29(24(32)23(19)31)10-9-27-11-13-33-14-12-27/h2-8,15,21,30H,9-14H2,1H3/b22-19+
InChIKeyLXOWYNDEOOISHQ-ZBJSNUHESA-N
XLogP-0.82
TPSA104.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate with MolForge

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Related Compounds

[2-(3-fluorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate
CID 4038935
(E)-[2-(4-methoxyphenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanolate
CID 6160933
(2,8-dimethylimidazo[1,2-a]pyridin-3-yl)-[2-(4-methoxycarbonylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate
CID 5206531
(4E,5S)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 7081790
[4-[(2-methylphenyl)methoxy]phenyl]-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate
CID 4920009
(4-butoxyphenyl)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate
CID 4872589
(E)-(5-methyl-1-phenylpyrazol-4-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]methanolate
CID 6376906
(5S)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-1-(3-imidazol-1-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 40835146
(4E,5R)-1-[3-(diethylamino)propyl]-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 40994288
(4-methylphenyl)-[2-(4-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate
CID 5036226
(4-fluorophenyl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]methanolate
CID 4598804
4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 3954427

Frequently Asked Questions

What is the IUPAC name of (E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate?
The IUPAC name of (E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate (CID 6057810) is (E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate.
What is the SMILES notation for (E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate?
The canonical SMILES for (E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate is Cc1nc2ccccn2c1/C([O-])=C1\C(=O)C(=O)N(CC[NH+]2CCOCC2)C1c1cccnc1.
What is the InChIKey of (E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate?
The InChIKey is LXOWYNDEOOISHQ-ZBJSNUHESA-N. The full InChI is InChI=1S/C24H25N5O4/c1-16-20(28-8-3-2-6-18(28)26-16)22(30)19-21(17-5-4-7-25-15-17)29(24(32)23(19)31)10-9-27-11-13-33-14-12-27/h2-8,15,21,30H,9-14H2,1H3/b22-19+.
What are the key properties of (E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate?
(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate has a molecular weight of 447.50 g/mol, XLogP of -0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(2-methylimidazo[1,2-a]pyridin-3-yl)-[1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methanolate is sourced from PubChem (CID 6057810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).