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-carboxamide

C44H44N10O3 — CID 158288191

IUPAC6-[(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-carboxamide
SMILESCc1cccc(/C=C(/C(=O)N2CCCCC2)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(=O)N2CCCCC2)c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C22H23N5O2.C22H21N5O/c1-15-6-5-7-17(25-15)12-18(22(29)26-10-3-2-4-11-26)16-8-9-20-24-13-19(21(23)28)27(20)14-16;1-16-6-5-7-18(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/h5-9,12-14H,2-4,10-11H2,1H3,(H2,23,28);5-9,12,14-15H,2-4,10-11H2,1H3/b18-12+;20-12+
InChIKeyGLAQXJNYBMBOJG-QBACJPQTSA-N
MW760.90 g/mol
LogP6.15
Rot. Bonds7

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-carboxamide

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-carboxamide (PubChem CID 158288191) has the molecular formula C44H44N10O3 and a molecular weight of 760.90 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;6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.

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;6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID158288191
Molecular FormulaC44H44N10O3
Molecular Weight760.90 g/mol
Exact Mass760.36
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;6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(/C=C(/C(=O)N2CCCCC2)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(=O)N2CCCCC2)c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C22H23N5O2.C22H21N5O/c1-15-6-5-7-17(25-15)12-18(22(29)26-10-3-2-4-11-26)16-8-9-20-24-13-19(21(23)28)27(20)14-16;1-16-6-5-7-18(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/h5-9,12-14H,2-4,10-11H2,1H3,(H2,23,28);5-9,12,14-15H,2-4,10-11H2,1H3/b18-12+;20-12+
InChIKeyGLAQXJNYBMBOJG-QBACJPQTSA-N
XLogP6.15
TPSA167.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.90
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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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;6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
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;6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 158288191) 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;6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide.
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;6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
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;6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(/C=C(/C(=O)N2CCCCC2)c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=C(/C(=O)N2CCCCC2)c2ccc3ncc(C(N)=O)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;6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GLAQXJNYBMBOJG-QBACJPQTSA-N. The full InChI is InChI=1S/C22H23N5O2.C22H21N5O/c1-15-6-5-7-17(25-15)12-18(22(29)26-10-3-2-4-11-26)16-8-9-20-24-13-19(21(23)28)27(20)14-16;1-16-6-5-7-18(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/h5-9,12-14H,2-4,10-11H2,1H3,(H2,23,28);5-9,12,14-15H,2-4,10-11H2,1H3/b18-12+;20-12+.
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-carboxamide?
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-carboxamide has a molecular weight of 760.90 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 10 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;6-[(E)-1-(6-methyl-2-pyridinyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 158288191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).