2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid

C15H15N3O3 — CID 54476815

IUPAC2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESCc1cccn2c(C=C(C#N)C(=O)O)c(OC(C)C)nc12
InChIInChI=1S/C15H15N3O3/c1-9(2)21-14-12(7-11(8-16)15(19)20)18-6-4-5-10(3)13(18)17-14/h4-7,9H,1-3H3,(H,19,20)
InChIKeyXMDXTSFVUJSEEU-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.42
Rot. Bonds4

About 2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid

2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (PubChem CID 54476815) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
PubChem CID54476815
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
SMILESCc1cccn2c(C=C(C#N)C(=O)O)c(OC(C)C)nc12
InChIInChI=1S/C15H15N3O3/c1-9(2)21-14-12(7-11(8-16)15(19)20)18-6-4-5-10(3)13(18)17-14/h4-7,9H,1-3H3,(H,19,20)
InChIKeyXMDXTSFVUJSEEU-UHFFFAOYSA-N
XLogP2.42
TPSA87.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.42
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

benzyl 2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 54371040
2-cyano-3-[8-(cycloheptylmethoxy)-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 139928818
(E)-3-(2-butoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)-2-cyanoprop-2-enoic acid
CID 67797354
ethyl 2-cyano-3-(2-ethenoxy-8-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 67796632
benzyl (Z)-2-cyano-3-[8-methyl-2-(2-methylpropoxy)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 67794746
benzyl 2-cyano-3-(8-ethoxy-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 54404306
2-cyano-3-(8-cyclohexyloxy-2-cyclopentyloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 139928770
benzyl (Z)-2-cyano-3-(6-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 67794850
6-[3-(2-carboxy-2-cyanoethenyl)-2-octoxyimidazo[1,2-a]pyridin-8-yl]oxyhexanoic acid
CID 139928782
benzyl (Z)-2-cyano-3-(2-hexoxy-8-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 67795992
2-cyano-3-[9-methyl-2-(4-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enamide
CID 3380416
2-cyano-3-(2-methoxy-6-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 54222554

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The IUPAC name of 2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid (CID 54476815) is 2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid.
What is the SMILES notation for 2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The canonical SMILES for 2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is Cc1cccn2c(C=C(C#N)C(=O)O)c(OC(C)C)nc12.
What is the InChIKey of 2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
The InChIKey is XMDXTSFVUJSEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9(2)21-14-12(7-11(8-16)15(19)20)18-6-4-5-10(3)13(18)17-14/h4-7,9H,1-3H3,(H,19,20).
What are the key properties of 2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid?
2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid has a molecular weight of 285.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(8-methyl-2-propan-2-yloxyimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid is sourced from PubChem (CID 54476815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).