dimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate

C19H16ClN3O4 — CID 168567257

IUPACdimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate
SMILESCOC(=O)/C=C(/Nc1cccc(-c2cn3cc(Cl)ccc3n2)c1)C(=O)OC
InChIInChI=1S/C19H16ClN3O4/c1-26-18(24)9-15(19(25)27-2)21-14-5-3-4-12(8-14)16-11-23-10-13(20)6-7-17(23)22-16/h3-11,21H,1-2H3/b15-9+
InChIKeyDFJJJQAACDHWEF-OQLLNIDSSA-N
MW385.81 g/mol
LogP3.30
Rot. Bonds5

About dimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate

dimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate (PubChem CID 168567257) has the molecular formula C19H16ClN3O4 and a molecular weight of 385.81 g/mol. Its IUPAC name is dimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate.

Molecular Properties

Compound Namedimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate
PubChem CID168567257
Molecular FormulaC19H16ClN3O4
Molecular Weight385.81 g/mol
Exact Mass385.08
IUPAC Namedimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate
SMILESCOC(=O)/C=C(/Nc1cccc(-c2cn3cc(Cl)ccc3n2)c1)C(=O)OC
InChIInChI=1S/C19H16ClN3O4/c1-26-18(24)9-15(19(25)27-2)21-14-5-3-4-12(8-14)16-11-23-10-13(20)6-7-17(23)22-16/h3-11,21H,1-2H3/b15-9+
InChIKeyDFJJJQAACDHWEF-OQLLNIDSSA-N
XLogP3.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (E)-2-(3-phenylanilino)but-2-enedioate
CID 14626592
dimethyl (E)-2-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate
CID 168570718
dimethyl (E)-2-[3-(4,6-dimethoxypyrimidin-2-yl)anilino]but-2-enedioate
CID 168570535
dimethyl (E)-2-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)anilino]but-2-enedioate
CID 168569780
dimethyl 2-(4-chloroanilino)but-2-enedioate
CID 2799108
dimethyl (E)-2-[3-(2-methylphenyl)anilino]but-2-enedioate
CID 168569545
dimethyl (Z)-2-(3,4-dichloroanilino)but-2-enedioate
CID 22301916
dimethyl (E)-2-(3-thiophen-3-ylanilino)but-2-enedioate
CID 168570222
dimethyl (E)-2-[3-[(2-chloro-4,5-difluorobenzoyl)amino]anilino]but-2-enedioate
CID 168569299
N-[4-(6-chloroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-methoxyacetamide
CID 42737495
2-(4-chlorophenoxy)-2-methyl-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 121055730
(E)-3-(4-chlorophenyl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enamide
CID 122283426

Frequently Asked Questions

What is the IUPAC name of dimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate?
The IUPAC name of dimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate (CID 168567257) is dimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate.
What is the SMILES notation for dimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate?
The canonical SMILES for dimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate is COC(=O)/C=C(/Nc1cccc(-c2cn3cc(Cl)ccc3n2)c1)C(=O)OC.
What is the InChIKey of dimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate?
The InChIKey is DFJJJQAACDHWEF-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H16ClN3O4/c1-26-18(24)9-15(19(25)27-2)21-14-5-3-4-12(8-14)16-11-23-10-13(20)6-7-17(23)22-16/h3-11,21H,1-2H3/b15-9+.
What are the key properties of dimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate?
dimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate has a molecular weight of 385.81 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (E)-2-[3-(6-chloroimidazo[1,2-a]pyridin-2-yl)anilino]but-2-enedioate is sourced from PubChem (CID 168567257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).