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

C21H20N4O2 — CID 147631182

IUPAC2-methylpropyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate
SMILESCc1cccc(/C=C(/C(=O)OCC(C)C)c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C21H20N4O2/c1-14(2)13-27-21(26)19(9-17-6-4-5-15(3)24-17)16-7-8-20-23-11-18(10-22)25(20)12-16/h4-9,11-12,14H,13H2,1-3H3/b19-9+
InChIKeyGFTGKHFECUSPAW-DJKKODMXSA-N
MW360.42 g/mol
LogP3.65
Rot. Bonds5

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

2-methylpropyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate (PubChem CID 147631182) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-methylpropyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Name2-methylpropyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate
PubChem CID147631182
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name2-methylpropyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate
SMILESCc1cccc(/C=C(/C(=O)OCC(C)C)c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C21H20N4O2/c1-14(2)13-27-21(26)19(9-17-6-4-5-15(3)24-17)16-7-8-20-23-11-18(10-22)25(20)12-16/h4-9,11-12,14H,13H2,1-3H3/b19-9+
InChIKeyGFTGKHFECUSPAW-DJKKODMXSA-N
XLogP3.65
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
The IUPAC name of 2-methylpropyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate (CID 147631182) is 2-methylpropyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate.
What is the SMILES notation for 2-methylpropyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
The canonical SMILES for 2-methylpropyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate is Cc1cccc(/C=C(/C(=O)OCC(C)C)c2ccc3ncc(C#N)n3c2)n1.
What is the InChIKey of 2-methylpropyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
The InChIKey is GFTGKHFECUSPAW-DJKKODMXSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14(2)13-27-21(26)19(9-17-6-4-5-15(3)24-17)16-7-8-20-23-11-18(10-22)25(20)12-16/h4-9,11-12,14H,13H2,1-3H3/b19-9+.
What are the key properties of 2-methylpropyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
2-methylpropyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate has a molecular weight of 360.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate is sourced from PubChem (CID 147631182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).