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

C22H16F2N4O4 — CID 154685979

IUPACN-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1c(O)cncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC2)o1
InChIInChI=1S/C22H16F2N4O4/c23-13-3-1-12(2-4-13)19-21(28(11-26-19)14-9-31-10-14)17-5-6-18(32-17)22(30)27-20-15(24)7-25-8-16(20)29/h1-8,11,14,29H,9-10H2,(H,25,27,30)
InChIKeyXCDCFRFMXKJRBJ-UHFFFAOYSA-N
MW438.39 g/mol
LogP4.01
Rot. Bonds5

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

N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 154685979) has the molecular formula C22H16F2N4O4 and a molecular weight of 438.39 g/mol. Its IUPAC name is N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide
PubChem CID154685979
Molecular FormulaC22H16F2N4O4
Molecular Weight438.39 g/mol
Exact Mass438.11
IUPAC NameN-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1c(O)cncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC2)o1
InChIInChI=1S/C22H16F2N4O4/c23-13-3-1-12(2-4-13)19-21(28(11-26-19)14-9-31-10-14)17-5-6-18(32-17)22(30)27-20-15(24)7-25-8-16(20)29/h1-8,11,14,29H,9-10H2,(H,25,27,30)
InChIKeyXCDCFRFMXKJRBJ-UHFFFAOYSA-N
XLogP4.01
TPSA102.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide (CID 154685979) is N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1c(O)cncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COC2)o1.
What is the InChIKey of N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is XCDCFRFMXKJRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O4/c23-13-3-1-12(2-4-13)19-21(28(11-26-19)14-9-31-10-14)17-5-6-18(32-17)22(30)27-20-15(24)7-25-8-16(20)29/h1-8,11,14,29H,9-10H2,(H,25,27,30).
What are the key properties of N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide?
N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 438.39 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 154685979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).