(E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate

C18H15N2O3- — CID 7023667

IUPAC(E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESCOc1cccc(-c2nc3cc(C)ccn3c2/C=C/C(=O)[O-])c1
InChIInChI=1S/C18H16N2O3/c1-12-8-9-20-15(6-7-17(21)22)18(19-16(20)10-12)13-4-3-5-14(11-13)23-2/h3-11H,1-2H3,(H,21,22)/p-1/b7-6+
InChIKeyDGDJUUBMCCUURX-VOTSOKGWSA-M
MW307.33 g/mol
LogP2.08
Rot. Bonds4

About (E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate

(E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate (PubChem CID 7023667) has the molecular formula C18H15N2O3- and a molecular weight of 307.33 g/mol. Its IUPAC name is (E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
PubChem CID7023667
Molecular FormulaC18H15N2O3-
Molecular Weight307.33 g/mol
Exact Mass307.11
IUPAC Name(E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESCOc1cccc(-c2nc3cc(C)ccn3c2/C=C/C(=O)[O-])c1
InChIInChI=1S/C18H16N2O3/c1-12-8-9-20-15(6-7-17(21)22)18(19-16(20)10-12)13-4-3-5-14(11-13)23-2/h3-11H,1-2H3,(H,21,22)/p-1/b7-6+
InChIKeyDGDJUUBMCCUURX-VOTSOKGWSA-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-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023668
(E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023768
(E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7015432
(E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023674
(E)-3-[7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195945
(E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195944
(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023742
2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82530233
[3-[3-(tert-butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-methoxybenzoate
CID 5027401
2-(3-methoxyphenyl)-7-methyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 3987356
3-methoxy-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 4226621
(E)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023676

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The IUPAC name of (E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate (CID 7023667) is (E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate.
What is the SMILES notation for (E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The canonical SMILES for (E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate is COc1cccc(-c2nc3cc(C)ccn3c2/C=C/C(=O)[O-])c1.
What is the InChIKey of (E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The InChIKey is DGDJUUBMCCUURX-VOTSOKGWSA-M. The full InChI is InChI=1S/C18H16N2O3/c1-12-8-9-20-15(6-7-17(21)22)18(19-16(20)10-12)13-4-3-5-14(11-13)23-2/h3-11H,1-2H3,(H,21,22)/p-1/b7-6+.
What are the key properties of (E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
(E)-3-[2-(3-methoxyphenyl)-7-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-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate is sourced from PubChem (CID 7023667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).