(E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

C19H18N2O2 — CID 94964072

IUPAC(E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCc1cccc(Cc2nc3cc(C)ccn3c2/C=C/C(=O)O)c1
InChIInChI=1S/C19H18N2O2/c1-13-4-3-5-15(10-13)12-16-17(6-7-19(22)23)21-9-8-14(2)11-18(21)20-16/h3-11H,12H2,1-2H3,(H,22,23)/b7-6+
InChIKeyIEKAZZQVTMKUBW-VOTSOKGWSA-N
MW306.37 g/mol
LogP3.64
Rot. Bonds4

About (E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

(E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (PubChem CID 94964072) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
PubChem CID94964072
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCc1cccc(Cc2nc3cc(C)ccn3c2/C=C/C(=O)O)c1
InChIInChI=1S/C19H18N2O2/c1-13-4-3-5-15(10-13)12-16-17(6-7-19(22)23)21-9-8-14(2)11-18(21)20-16/h3-11H,12H2,1-2H3,(H,22,23)/b7-6+
InChIKeyIEKAZZQVTMKUBW-VOTSOKGWSA-N
XLogP3.64
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid with MolForge

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Related Compounds

(E)-3-[7-methyl-2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195944
(E)-3-[7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195945
2-[(4-chlorophenyl)methyl]-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82225523
(E)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)prop-2-enoic acid
CID 116989727
1-(3,7-dimethylimidazo[1,2-a]pyridin-2-yl)propan-2-one
CID 84670710
7-chloro-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82529905
(E)-3-[2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023667
2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 82223440
2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82223479
2-(7-methyl-3-nitrosoimidazo[1,2-a]pyridin-2-yl)acetic acid
CID 82356407
1-[7-methyl-2-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82223155
1-(4-chlorophenyl)-3-[7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-yl]urea
CID 42694847

Frequently Asked Questions

What is the IUPAC name of (E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (CID 94964072) is (E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is Cc1cccc(Cc2nc3cc(C)ccn3c2/C=C/C(=O)O)c1.
What is the InChIKey of (E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The InChIKey is IEKAZZQVTMKUBW-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-4-3-5-15(10-13)12-16-17(6-7-19(22)23)21-9-8-14(2)11-18(21)20-16/h3-11H,12H2,1-2H3,(H,22,23)/b7-6+.
What are the key properties of (E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
(E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid has a molecular weight of 306.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[7-methyl-2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is sourced from PubChem (CID 94964072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).