(E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide

C21H17N5O3 — CID 122312280

IUPAC(E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide
SMILESCc1nccn1-c1cc(Oc2ccc(NC(=O)/C=C/c3ccco3)cc2)ncn1
InChIInChI=1S/C21H17N5O3/c1-15-22-10-11-26(15)19-13-21(24-14-23-19)29-18-6-4-16(5-7-18)25-20(27)9-8-17-3-2-12-28-17/h2-14H,1H3,(H,25,27)/b9-8+
InChIKeyQQIZRCREGRWIEO-CMDGGOBGSA-N
MW387.40 g/mol
LogP4.01
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide (PubChem CID 122312280) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide
PubChem CID122312280
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC Name(E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide
SMILESCc1nccn1-c1cc(Oc2ccc(NC(=O)/C=C/c3ccco3)cc2)ncn1
InChIInChI=1S/C21H17N5O3/c1-15-22-10-11-26(15)19-13-21(24-14-23-19)29-18-6-4-16(5-7-18)25-20(27)9-8-17-3-2-12-28-17/h2-14H,1H3,(H,25,27)/b9-8+
InChIKeyQQIZRCREGRWIEO-CMDGGOBGSA-N
XLogP4.01
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-3-phenylprop-2-enamide
CID 122312260
2-chloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312242
2-iodo-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312575
3,4-dimethyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312229
1-(2,3-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312308
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312314
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide
CID 122312470
4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312439
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-4-pentoxybenzamide
CID 122312480
2,5-dichloro-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]thiophene-3-carboxamide
CID 122312491
2-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122312432
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2-phenyltriazole-4-carboxamide
CID 122312385

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide (CID 122312280) is (E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide is Cc1nccn1-c1cc(Oc2ccc(NC(=O)/C=C/c3ccco3)cc2)ncn1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide?
The InChIKey is QQIZRCREGRWIEO-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-15-22-10-11-26(15)19-13-21(24-14-23-19)29-18-6-4-16(5-7-18)25-20(27)9-8-17-3-2-12-28-17/h2-14H,1H3,(H,25,27)/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide has a molecular weight of 387.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide is sourced from PubChem (CID 122312280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).