2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid

C13H11N3O3 — CID 54222554

IUPAC2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESCOc1nc2ccc(C)cn2c1C=C(C#N)C(=O)O
InChIInChI=1S/C13H11N3O3/c1-8-3-4-11-15-12(19-2)10(16(11)7-8)5-9(6-14)13(17)18/h3-5,7H,1-2H3,(H,17,18)
InChIKeyQDPWKIMYDGXEIZ-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.64
Rot. Bonds3

About 2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid

2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (PubChem CID 54222554) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
PubChem CID54222554
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESCOc1nc2ccc(C)cn2c1C=C(C#N)C(=O)O
InChIInChI=1S/C13H11N3O3/c1-8-3-4-11-15-12(19-2)10(16(11)7-8)5-9(6-14)13(17)18/h3-5,7H,1-2H3,(H,17,18)
InChIKeyQDPWKIMYDGXEIZ-UHFFFAOYSA-N
XLogP1.64
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 67796531
2-cyano-3-(2-methoxy-5-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 54128127
benzyl (Z)-2-cyano-3-(6-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 67794850
2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 54476815
(E)-2-cyano-3-(6-methoxy-2-pyridinyl)prop-2-enoic acid
CID 118142937
(E)-2-cyano-3-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
CID 43244886
2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid
CID 4583182
(E)-2-cyano-3-[5-[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]thiophen-2-yl]prop-2-enoic acid
CID 102050955
3-[3-(2-carboxy-2-cyanoethenyl)-5-methylphenyl]-2-cyanoprop-2-enoic acid
CID 123552217
(Z)-2-cyano-N-(2-methoxyphenyl)-3-[2-(4-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
CID 18838312
(Z)-2-cyano-3-(3,5-dimethoxyphenyl)prop-2-enoic acid
CID 99646704
2-(methoxymethyl)-6-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 82530207

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The IUPAC name of 2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (CID 54222554) is 2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.
What is the SMILES notation for 2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The canonical SMILES for 2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is COc1nc2ccc(C)cn2c1C=C(C#N)C(=O)O.
What is the InChIKey of 2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The InChIKey is QDPWKIMYDGXEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-8-3-4-11-15-12(19-2)10(16(11)7-8)5-9(6-14)13(17)18/h3-5,7H,1-2H3,(H,17,18).
What are the key properties of 2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid has a molecular weight of 257.25 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 54222554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).