(E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide

C20H16N4O2 — CID 121033249

IUPAC(E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide
SMILESCc1c(-c2cccc(NC(=O)/C=C/c3ccco3)c2)nc2ncccn12
InChIInChI=1S/C20H16N4O2/c1-14-19(23-20-21-10-4-11-24(14)20)15-5-2-6-16(13-15)22-18(25)9-8-17-7-3-12-26-17/h2-13H,1H3,(H,22,25)/b9-8+
InChIKeyBFFGQIJFIWFMKQ-CMDGGOBGSA-N
MW344.37 g/mol
LogP3.95
Rot. Bonds4

About (E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide (PubChem CID 121033249) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide
PubChem CID121033249
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name(E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide
SMILESCc1c(-c2cccc(NC(=O)/C=C/c3ccco3)c2)nc2ncccn12
InChIInChI=1S/C20H16N4O2/c1-14-19(23-20-21-10-4-11-24(14)20)15-5-2-6-16(13-15)22-18(25)9-8-17-7-3-12-26-17/h2-13H,1H3,(H,22,25)/b9-8+
InChIKeyBFFGQIJFIWFMKQ-CMDGGOBGSA-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-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]furan-2-carboxamide
CID 7080334
3-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
CID 7080309
1-(3-chlorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 7080345
1-(3-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033214
4-tert-butyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzamide
CID 7080310
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclopropanecarboxamide
CID 121024151
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide
CID 122285842
1-(2-fluorophenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033218
2-ethoxy-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]acetamide
CID 121024155
N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 7080306
1-(1,3-benzodioxol-5-yl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033205
1-[3-(difluoromethoxy)phenyl]-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 122285767

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide (CID 121033249) is (E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide is Cc1c(-c2cccc(NC(=O)/C=C/c3ccco3)c2)nc2ncccn12.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide?
The InChIKey is BFFGQIJFIWFMKQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-14-19(23-20-21-10-4-11-24(14)20)15-5-2-6-16(13-15)22-18(25)9-8-17-7-3-12-26-17/h2-13H,1H3,(H,22,25)/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]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-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 121033249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).