(E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate

C17H12ClN2O3- — CID 7023768

IUPAC(E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESCOc1cccc(-c2nc3ccc(Cl)cn3c2/C=C/C(=O)[O-])c1
InChIInChI=1S/C17H13ClN2O3/c1-23-13-4-2-3-11(9-13)17-14(6-8-16(21)22)20-10-12(18)5-7-15(20)19-17/h2-10H,1H3,(H,21,22)/p-1/b8-6+
InChIKeySZWQLLXQVMXVMA-SOFGYWHQSA-M
MW327.75 g/mol
LogP2.43
Rot. Bonds4

About (E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate

(E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate (PubChem CID 7023768) has the molecular formula C17H12ClN2O3- and a molecular weight of 327.75 g/mol. Its IUPAC name is (E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
PubChem CID7023768
Molecular FormulaC17H12ClN2O3-
Molecular Weight327.75 g/mol
Exact Mass327.05
IUPAC Name(E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESCOc1cccc(-c2nc3ccc(Cl)cn3c2/C=C/C(=O)[O-])c1
InChIInChI=1S/C17H13ClN2O3/c1-23-13-4-2-3-11(9-13)17-14(6-8-16(21)22)20-10-12(18)5-7-15(20)19-17/h2-10H,1H3,(H,21,22)/p-1/b8-6+
InChIKeySZWQLLXQVMXVMA-SOFGYWHQSA-M
XLogP2.43
TPSA66.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023667
1-[[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate
CID 7016683
(E)-3-[6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39196008
(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023742
(E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023691
(E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023674
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82530233
5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82342872
3-(hydroxymethyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 46224342
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 55248194
12-chloro-6-[(3-methoxyphenyl)methylidene]-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 56624646
(E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023668

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The IUPAC name of (E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate (CID 7023768) is (E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate.
What is the SMILES notation for (E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The canonical SMILES for (E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate is COc1cccc(-c2nc3ccc(Cl)cn3c2/C=C/C(=O)[O-])c1.
What is the InChIKey of (E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The InChIKey is SZWQLLXQVMXVMA-SOFGYWHQSA-M. The full InChI is InChI=1S/C17H13ClN2O3/c1-23-13-4-2-3-11(9-13)17-14(6-8-16(21)22)20-10-12(18)5-7-15(20)19-17/h2-10H,1H3,(H,21,22)/p-1/b8-6+.
What are the key properties of (E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
(E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate has a molecular weight of 327.75 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate is sourced from PubChem (CID 7023768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).