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

C23H16F4N4O4 — CID 154685988

IUPAC5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1c(O)cncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COCC2(F)F)o1
InChIInChI=1S/C23H16F4N4O4/c24-13-3-1-12(2-4-13)19-21(31(11-29-19)18-9-34-10-23(18,26)27)16-5-6-17(35-16)22(33)30-20-14(25)7-28-8-15(20)32/h1-8,11,18,32H,9-10H2,(H,28,30,33)
InChIKeyDZNOTWKYMAMZOT-UHFFFAOYSA-N
MW488.40 g/mol
LogP4.65
Rot. Bonds5

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

5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide (PubChem CID 154685988) has the molecular formula C23H16F4N4O4 and a molecular weight of 488.40 g/mol. Its IUPAC name is 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide
PubChem CID154685988
Molecular FormulaC23H16F4N4O4
Molecular Weight488.40 g/mol
Exact Mass488.11
IUPAC Name5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1c(O)cncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COCC2(F)F)o1
InChIInChI=1S/C23H16F4N4O4/c24-13-3-1-12(2-4-13)19-21(31(11-29-19)18-9-34-10-23(18,26)27)16-5-6-17(35-16)22(33)30-20-14(25)7-28-8-15(20)32/h1-8,11,18,32H,9-10H2,(H,28,30,33)
InChIKeyDZNOTWKYMAMZOT-UHFFFAOYSA-N
XLogP4.65
TPSA102.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.40
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide (CID 154685988) is 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide is O=C(Nc1c(O)cncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COCC2(F)F)o1.
What is the InChIKey of 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide?
The InChIKey is DZNOTWKYMAMZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N4O4/c24-13-3-1-12(2-4-13)19-21(31(11-29-19)18-9-34-10-23(18,26)27)16-5-6-17(35-16)22(33)30-20-14(25)7-28-8-15(20)32/h1-8,11,18,32H,9-10H2,(H,28,30,33).
What are the key properties of 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide?
5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide has a molecular weight of 488.40 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 154685988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).