5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide

C21H16FN5O3 — CID 154685923

IUPAC5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1ccncn1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC2)o1
InChIInChI=1S/C21H16FN5O3/c22-14-3-1-13(2-4-14)19-20(27(12-25-19)15-9-29-10-15)16-5-6-17(30-16)21(28)26-18-7-8-23-11-24-18/h1-8,11-12,15H,9-10H2,(H,23,24,26,28)
InChIKeyPQBBBCXWAVNJAL-UHFFFAOYSA-N
MW405.39 g/mol
LogP3.56
Rot. Bonds5

About 5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide

5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide (PubChem CID 154685923) has the molecular formula C21H16FN5O3 and a molecular weight of 405.39 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide
PubChem CID154685923
Molecular FormulaC21H16FN5O3
Molecular Weight405.39 g/mol
Exact Mass405.12
IUPAC Name5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide
SMILESO=C(Nc1ccncn1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC2)o1
InChIInChI=1S/C21H16FN5O3/c22-14-3-1-13(2-4-14)19-20(27(12-25-19)15-9-29-10-15)16-5-6-17(30-16)21(28)26-18-7-8-23-11-24-18/h1-8,11-12,15H,9-10H2,(H,23,24,26,28)
InChIKeyPQBBBCXWAVNJAL-UHFFFAOYSA-N
XLogP3.56
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[5-(4-fluorophenyl)-3-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
CID 160565769
5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide
CID 158448027
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide
CID 53036105
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methylphenyl)furan-2-carboxamide
CID 53036086
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 53115217
N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 53036069
N-[(2R)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 95056555
N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 95056556
tris(5-[3-(cyclopentylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide);5-[3-cyclopropyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 158471441
[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone
CID 53036147
[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone
CID 53036107
5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 95087066

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide?
The IUPAC name of 5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide (CID 154685923) is 5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide?
The canonical SMILES for 5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide is O=C(Nc1ccncn1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC2)o1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide?
The InChIKey is PQBBBCXWAVNJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O3/c22-14-3-1-13(2-4-14)19-20(27(12-25-19)15-9-29-10-15)16-5-6-17(30-16)21(28)26-18-7-8-23-11-24-18/h1-8,11-12,15H,9-10H2,(H,23,24,26,28).
What are the key properties of 5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide?
5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide has a molecular weight of 405.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide is sourced from PubChem (CID 154685923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).