(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide

C20H15N5O — CID 75417013

IUPAC(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C20H15N5O/c26-19(10-9-16-4-1-2-11-21-16)23-17-7-5-15(6-8-17)18-14-25-13-3-12-22-20(25)24-18/h1-14H,(H,23,26)/b10-9+
InChIKeyQZVPYQDPRSZUCA-MDZDMXLPSA-N
MW341.37 g/mol
LogP3.44
Rot. Bonds4

About (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide

(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide (PubChem CID 75417013) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide
PubChem CID75417013
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide
SMILESO=C(/C=C/c1ccccn1)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C20H15N5O/c26-19(10-9-16-4-1-2-11-21-16)23-17-7-5-15(6-8-17)18-14-25-13-3-12-22-20(25)24-18/h1-14H,(H,23,26)/b10-9+
InChIKeyQZVPYQDPRSZUCA-MDZDMXLPSA-N
XLogP3.44
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 98846407
3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 55825812
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 98850958
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-naphthalen-1-ylacetamide
CID 122285628
(E)-3-(4-chlorophenyl)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 122285177
2-hydroxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)cyclopentane-1-carboxamide
CID 110015358
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-propylpentanamide
CID 20868684
4-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 121033065
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide
CID 7080283
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-morpholin-4-ylacetamide
CID 75499509
2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)ethene-1,1,2-tricarbonitrile
CID 168610794
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzamide
CID 121033061

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide (CID 75417013) is (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide is O=C(/C=C/c1ccccn1)Nc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide?
The InChIKey is QZVPYQDPRSZUCA-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H15N5O/c26-19(10-9-16-4-1-2-11-21-16)23-17-7-5-15(6-8-17)18-14-25-13-3-12-22-20(25)24-18/h1-14H,(H,23,26)/b10-9+.
What are the key properties of (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide?
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide has a molecular weight of 341.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 75417013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).