6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C22H21N5O — CID 155787568

IUPAC6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1cccc(/C=C(/C(=O)N2CCCCC2)c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C22H21N5O/c1-16-6-5-7-18(25-16)12-20(22(28)26-10-3-2-4-11-26)17-8-9-21-24-14-19(13-23)27(21)15-17/h5-9,12,14-15H,2-4,10-11H2,1H3/b20-12+
InChIKeyBENJIEBFWRPXCU-UDWIEESQSA-N
MW371.44 g/mol
LogP3.46
Rot. Bonds3

About 6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile

6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 155787568) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID155787568
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1cccc(/C=C(/C(=O)N2CCCCC2)c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C22H21N5O/c1-16-6-5-7-18(25-16)12-20(22(28)26-10-3-2-4-11-26)17-8-9-21-24-14-19(13-23)27(21)15-17/h5-9,12,14-15H,2-4,10-11H2,1H3/b20-12+
InChIKeyBENJIEBFWRPXCU-UDWIEESQSA-N
XLogP3.46
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile 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 6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 155787568) is 6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile is Cc1cccc(/C=C(/C(=O)N2CCCCC2)c2ccc3ncc(C#N)n3c2)n1.
What is the InChIKey of 6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is BENJIEBFWRPXCU-UDWIEESQSA-N. The full InChI is InChI=1S/C22H21N5O/c1-16-6-5-7-18(25-16)12-20(22(28)26-10-3-2-4-11-26)17-8-9-21-24-14-19(13-23)27(21)15-17/h5-9,12,14-15H,2-4,10-11H2,1H3/b20-12+.
What are the key properties of 6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 371.44 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155787568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).