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

C24H18F4N4O3 — CID 154685930

IUPAC5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3COCC3(F)F)o2)c(F)cn1
InChIInChI=1S/C24H18F4N4O3/c1-13-8-17(16(26)9-29-13)31-23(33)19-7-6-18(35-19)22-21(14-2-4-15(25)5-3-14)30-12-32(22)20-10-34-11-24(20,27)28/h2-9,12,20H,10-11H2,1H3,(H,29,31,33)
InChIKeyWYEBIVKTTNWHNK-UHFFFAOYSA-N
MW486.43 g/mol
LogP5.25
Rot. Bonds5

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

5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide (PubChem CID 154685930) has the molecular formula C24H18F4N4O3 and a molecular weight of 486.43 g/mol. Its IUPAC name is 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide
PubChem CID154685930
Molecular FormulaC24H18F4N4O3
Molecular Weight486.43 g/mol
Exact Mass486.13
IUPAC Name5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3COCC3(F)F)o2)c(F)cn1
InChIInChI=1S/C24H18F4N4O3/c1-13-8-17(16(26)9-29-13)31-23(33)19-7-6-18(35-19)22-21(14-2-4-15(25)5-3-14)30-12-32(22)20-10-34-11-24(20,27)28/h2-9,12,20H,10-11H2,1H3,(H,29,31,33)
InChIKeyWYEBIVKTTNWHNK-UHFFFAOYSA-N
XLogP5.25
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide (CID 154685930) is 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-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-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3COCC3(F)F)o2)c(F)cn1.
What is the InChIKey of 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide?
The InChIKey is WYEBIVKTTNWHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N4O3/c1-13-8-17(16(26)9-29-13)31-23(33)19-7-6-18(35-19)22-21(14-2-4-15(25)5-3-14)30-12-32(22)20-10-34-11-24(20,27)28/h2-9,12,20H,10-11H2,1H3,(H,29,31,33).
What are the key properties of 5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide?
5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide has a molecular weight of 486.43 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 154685930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).