(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate

C23H17N2O2- — CID 7023742

IUPAC(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESCc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(/C=C/C(=O)[O-])n2c1
InChIInChI=1S/C23H18N2O2/c1-16-7-13-21-24-23(20(25(21)15-16)12-14-22(26)27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,26,27)/p-1/b14-12+
InChIKeyUUACRNGJWLCEQO-WYMLVPIESA-M
MW353.40 g/mol
LogP3.74
Rot. Bonds4

About (E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate

(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate (PubChem CID 7023742) has the molecular formula C23H17N2O2- and a molecular weight of 353.40 g/mol. Its IUPAC name is (E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
PubChem CID7023742
Molecular FormulaC23H17N2O2-
Molecular Weight353.40 g/mol
Exact Mass353.13
IUPAC Name(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESCc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(/C=C/C(=O)[O-])n2c1
InChIInChI=1S/C23H18N2O2/c1-16-7-13-21-24-23(20(25(21)15-16)12-14-22(26)27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,26,27)/p-1/b14-12+
InChIKeyUUACRNGJWLCEQO-WYMLVPIESA-M
XLogP3.74
TPSA57.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023691
(E)-3-(6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39195917
(E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7015432
1-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029395
(E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023768
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
(E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023674
(E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023667
(Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one
CID 15321695
3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881184
[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methylideneamino] 4-methylbenzoate
CID 1488122

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The IUPAC name of (E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate (CID 7023742) is (E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate.
What is the SMILES notation for (E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The canonical SMILES for (E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate is Cc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(/C=C/C(=O)[O-])n2c1.
What is the InChIKey of (E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The InChIKey is UUACRNGJWLCEQO-WYMLVPIESA-M. The full InChI is InChI=1S/C23H18N2O2/c1-16-7-13-21-24-23(20(25(21)15-16)12-14-22(26)27)19-10-8-18(9-11-19)17-5-3-2-4-6-17/h2-15H,1H3,(H,26,27)/p-1/b14-12+.
What are the key properties of (E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate has a molecular weight of 353.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate is sourced from PubChem (CID 7023742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).