(E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid

C18H15N3O3 — CID 695183

IUPAC(E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid
SMILESCc1ccn2cc(-c3cccc(NC(=O)/C=C/C(=O)O)c3)nc2c1
InChIInChI=1S/C18H15N3O3/c1-12-7-8-21-11-15(20-16(21)9-12)13-3-2-4-14(10-13)19-17(22)5-6-18(23)24/h2-11H,1H3,(H,19,22)(H,23,24)/b6-5+
InChIKeyAOVSGNOLGXKMQZ-AATRIKPKSA-N
MW321.34 g/mol
LogP2.89
Rot. Bonds4

About (E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid

(E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid (PubChem CID 695183) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is (E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid
PubChem CID695183
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name(E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid
SMILESCc1ccn2cc(-c3cccc(NC(=O)/C=C/C(=O)O)c3)nc2c1
InChIInChI=1S/C18H15N3O3/c1-12-7-8-21-11-15(20-16(21)9-12)13-3-2-4-14(10-13)19-17(22)5-6-18(23)24/h2-11H,1H3,(H,19,22)(H,23,24)/b6-5+
InChIKeyAOVSGNOLGXKMQZ-AATRIKPKSA-N
XLogP2.89
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121090021
4-methyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028698
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclohexanecarboxamide
CID 1480568
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 122284871
1,3,5-trimethyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-carboxamide
CID 122284963
2-(1,3-dioxoisoindol-2-yl)-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 122284914
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-phenoxybenzamide
CID 122284880
5-bromo-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 122284885
N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 121090012
5-methyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 122284883
4-ethoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121028764
1-(4-fluorophenyl)-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide
CID 122284968

Frequently Asked Questions

What is the IUPAC name of (E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid (CID 695183) is (E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid is Cc1ccn2cc(-c3cccc(NC(=O)/C=C/C(=O)O)c3)nc2c1.
What is the InChIKey of (E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid?
The InChIKey is AOVSGNOLGXKMQZ-AATRIKPKSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-12-7-8-21-11-15(20-16(21)9-12)13-3-2-4-14(10-13)19-17(22)5-6-18(23)24/h2-11H,1H3,(H,19,22)(H,23,24)/b6-5+.
What are the key properties of (E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid?
(E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid has a molecular weight of 321.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]-4-oxobut-2-enoic acid is sourced from PubChem (CID 695183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).