(E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate

C18H15N2O3- — CID 7023674

IUPAC(E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESCOc1ccc(-c2nc3c(C)cccn3c2/C=C/C(=O)[O-])cc1
InChIInChI=1S/C18H16N2O3/c1-12-4-3-11-20-15(9-10-16(21)22)17(19-18(12)20)13-5-7-14(23-2)8-6-13/h3-11H,1-2H3,(H,21,22)/p-1/b10-9+
InChIKeyXAHXNFSUFBFLSG-MDZDMXLPSA-M
MW307.33 g/mol
LogP2.08
Rot. Bonds4

About (E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate

(E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate (PubChem CID 7023674) has the molecular formula C18H15N2O3- and a molecular weight of 307.33 g/mol. Its IUPAC name is (E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
PubChem CID7023674
Molecular FormulaC18H15N2O3-
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name(E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESCOc1ccc(-c2nc3c(C)cccn3c2/C=C/C(=O)[O-])cc1
InChIInChI=1S/C18H16N2O3/c1-12-4-3-11-20-15(9-10-16(21)22)17(19-18(12)20)13-5-7-14(23-2)8-6-13/h3-11H,1-2H3,(H,21,22)/p-1/b10-9+
InChIKeyXAHXNFSUFBFLSG-MDZDMXLPSA-M
XLogP2.08
TPSA66.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.08
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-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023676
3-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2759948
(E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023667
2-(3,4-dimethoxyphenyl)-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 2758451
(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023742
(Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide
CID 170877528
(E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023768
3-methoxy-8-methyl-2-phenylimidazo[1,2-a]pyridine
CID 13211847
3-(4-methoxyphenyl)-2,8-dimethylimidazo[1,2-a]pyridine
CID 115404302
(E)-3-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023668
(E)-1-(3,4-dimethylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one
CID 51353296
(E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7015432

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The IUPAC name of (E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate (CID 7023674) is (E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate.
What is the SMILES notation for (E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The canonical SMILES for (E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate is COc1ccc(-c2nc3c(C)cccn3c2/C=C/C(=O)[O-])cc1.
What is the InChIKey of (E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The InChIKey is XAHXNFSUFBFLSG-MDZDMXLPSA-M. The full InChI is InChI=1S/C18H16N2O3/c1-12-4-3-11-20-15(9-10-16(21)22)17(19-18(12)20)13-5-7-14(23-2)8-6-13/h3-11H,1-2H3,(H,21,22)/p-1/b10-9+.
What are the key properties of (E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
(E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate has a molecular weight of 307.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate is sourced from PubChem (CID 7023674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).