5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide

C23H18F2N4O4 — CID 155069029

IUPAC5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide
SMILESO=C(Nc1cc[nH]c(=O)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC[C@@H]2F)o1
InChIInChI=1S/C23H18F2N4O4/c24-14-3-1-13(2-4-14)21-22(29(12-27-21)17-11-32-10-16(17)25)18-5-6-19(33-18)23(31)28-15-7-8-26-20(30)9-15/h1-9,12,16-17H,10-11H2,(H2,26,28,30,31)/t16-,17?/m0/s1
InChIKeyVJOFOCKZLIAOTR-BHWOMJMDSA-N
MW452.42 g/mol
LogP3.80
Rot. Bonds5

About 5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide

5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide (PubChem CID 155069029) has the molecular formula C23H18F2N4O4 and a molecular weight of 452.42 g/mol. Its IUPAC name is 5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide
PubChem CID155069029
Molecular FormulaC23H18F2N4O4
Molecular Weight452.42 g/mol
Exact Mass452.13
IUPAC Name5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide
SMILESO=C(Nc1cc[nH]c(=O)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC[C@@H]2F)o1
InChIInChI=1S/C23H18F2N4O4/c24-14-3-1-13(2-4-14)21-22(29(12-27-21)17-11-32-10-16(17)25)18-5-6-19(33-18)23(31)28-15-7-8-26-20(30)9-15/h1-9,12,16-17H,10-11H2,(H2,26,28,30,31)/t16-,17?/m0/s1
InChIKeyVJOFOCKZLIAOTR-BHWOMJMDSA-N
XLogP3.80
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide?
The IUPAC name of 5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide (CID 155069029) is 5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide?
The canonical SMILES for 5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide is O=C(Nc1cc[nH]c(=O)c1)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC[C@@H]2F)o1.
What is the InChIKey of 5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide?
The InChIKey is VJOFOCKZLIAOTR-BHWOMJMDSA-N. The full InChI is InChI=1S/C23H18F2N4O4/c24-14-3-1-13(2-4-14)21-22(29(12-27-21)17-11-32-10-16(17)25)18-5-6-19(33-18)23(31)28-15-7-8-26-20(30)9-15/h1-9,12,16-17H,10-11H2,(H2,26,28,30,31)/t16-,17?/m0/s1.
What are the key properties of 5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide?
5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide has a molecular weight of 452.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4R)-4-fluorooxolan-3-yl]-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide is sourced from PubChem (CID 155069029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).