(E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide

C20H16N4O2 — CID 121033240

IUPAC(E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)/C=C/c1ccco1
InChIInChI=1S/C20H16N4O2/c1-14-5-6-15(18-13-24-10-3-9-21-20(24)23-18)12-17(14)22-19(25)8-7-16-4-2-11-26-16/h2-13H,1H3,(H,22,25)/b8-7+
InChIKeyICOPWGJHGAIVFO-BQYQJAHWSA-N
MW344.37 g/mol
LogP3.95
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide (PubChem CID 121033240) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide
PubChem CID121033240
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name(E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)/C=C/c1ccco1
InChIInChI=1S/C20H16N4O2/c1-14-5-6-15(18-13-24-10-3-9-21-20(24)23-18)12-17(14)22-19(25)8-7-16-4-2-11-26-16/h2-13H,1H3,(H,22,25)/b8-7+
InChIKeyICOPWGJHGAIVFO-BQYQJAHWSA-N
XLogP3.95
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.95
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

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035
2-ethyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)butanamide
CID 7080196
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide
CID 7080283
1-(2-fluorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033147
3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080226
1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121033146
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-5-nitrofuran-2-carboxamide
CID 122285263
2-(1,3-benzodioxol-5-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)acetamide
CID 122285341
3-cyclohexyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)propanamide
CID 7080200
5-bromo-2-chloro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 27536916
(E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide
CID 121033249
(E)-N-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)prop-2-enamide
CID 2683689

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide (CID 121033240) is (E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide is Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide?
The InChIKey is ICOPWGJHGAIVFO-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-14-5-6-15(18-13-24-10-3-9-21-20(24)23-18)12-17(14)22-19(25)8-7-16-4-2-11-26-16/h2-13H,1H3,(H,22,25)/b8-7+.
What are the key properties of (E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide has a molecular weight of 344.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)prop-2-enamide is sourced from PubChem (CID 121033240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).