methyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate

C18H14N4O2 — CID 155787581

IUPACmethyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1cccc(C)n1)c1ccc2ncc(C#N)n2c1
InChIInChI=1S/C18H14N4O2/c1-12-4-3-5-14(21-12)8-16(18(23)24-2)13-6-7-17-20-10-15(9-19)22(17)11-13/h3-8,10-11H,1-2H3/b16-8+
InChIKeyOYBCFEBKHLMWBM-LZYBPNLTSA-N
MW318.34 g/mol
LogP2.62
Rot. Bonds3

About methyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate

methyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate (PubChem CID 155787581) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is methyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate
PubChem CID155787581
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Namemethyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1cccc(C)n1)c1ccc2ncc(C#N)n2c1
InChIInChI=1S/C18H14N4O2/c1-12-4-3-5-14(21-12)8-16(18(23)24-2)13-6-7-17-20-10-15(9-19)22(17)11-13/h3-8,10-11H,1-2H3/b16-8+
InChIKeyOYBCFEBKHLMWBM-LZYBPNLTSA-N
XLogP2.62
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
The IUPAC name of methyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate (CID 155787581) is methyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate is COC(=O)/C(=C/c1cccc(C)n1)c1ccc2ncc(C#N)n2c1.
What is the InChIKey of methyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
The InChIKey is OYBCFEBKHLMWBM-LZYBPNLTSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-12-4-3-5-14(21-12)8-16(18(23)24-2)13-6-7-17-20-10-15(9-19)22(17)11-13/h3-8,10-11H,1-2H3/b16-8+.
What are the key properties of methyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
methyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate has a molecular weight of 318.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate is sourced from PubChem (CID 155787581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).