5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide

C23H17F3N4O3 — CID 154685902

IUPAC5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COCC2F)o1
InChIInChI=1S/C23H17F3N4O3/c24-14-3-1-13(2-4-14)21-22(30(12-28-21)18-11-32-10-16(18)26)19-5-6-20(33-19)23(31)29-17-7-8-27-9-15(17)25/h1-9,12,16,18H,10-11H2,(H,27,29,31)
InChIKeyVHADCIRDAFWKDN-UHFFFAOYSA-N
MW454.41 g/mol
LogP4.64
Rot. Bonds5

About 5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide

5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide (PubChem CID 154685902) has the molecular formula C23H17F3N4O3 and a molecular weight of 454.41 g/mol. Its IUPAC name is 5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
PubChem CID154685902
Molecular FormulaC23H17F3N4O3
Molecular Weight454.41 g/mol
Exact Mass454.13
IUPAC Name5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COCC2F)o1
InChIInChI=1S/C23H17F3N4O3/c24-14-3-1-13(2-4-14)21-22(30(12-28-21)18-11-32-10-16(18)26)19-5-6-20(33-19)23(31)29-17-7-8-27-9-15(17)25/h1-9,12,16,18H,10-11H2,(H,27,29,31)
InChIKeyVHADCIRDAFWKDN-UHFFFAOYSA-N
XLogP4.64
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.41
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide (CID 154685902) is 5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide is O=C(Nc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COCC2F)o1.
What is the InChIKey of 5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
The InChIKey is VHADCIRDAFWKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3/c24-14-3-1-13(2-4-14)21-22(30(12-28-21)18-11-32-10-16(18)26)19-5-6-20(33-19)23(31)29-17-7-8-27-9-15(17)25/h1-9,12,16,18H,10-11H2,(H,27,29,31).
What are the key properties of 5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide has a molecular weight of 454.41 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 154685902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).