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

C22H16F2N4O4 — CID 176637940

IUPACN-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc(-c2c(O)cncc2F)n1C1COC1)c1ccco1
InChIInChI=1S/C22H16F2N4O4/c23-13-5-3-12(4-6-13)19-21(27-22(30)17-2-1-7-32-17)28(14-10-31-11-14)20(26-19)18-15(24)8-25-9-16(18)29/h1-9,14,29H,10-11H2,(H,27,30)
InChIKeyBXYPWXHXZMDFFB-UHFFFAOYSA-N
MW438.39 g/mol
LogP4.01
Rot. Bonds5

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

N-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 176637940) has the molecular formula C22H16F2N4O4 and a molecular weight of 438.39 g/mol. Its IUPAC name is N-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide
PubChem CID176637940
Molecular FormulaC22H16F2N4O4
Molecular Weight438.39 g/mol
Exact Mass438.11
IUPAC NameN-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc(-c2c(O)cncc2F)n1C1COC1)c1ccco1
InChIInChI=1S/C22H16F2N4O4/c23-13-5-3-12(4-6-13)19-21(27-22(30)17-2-1-7-32-17)28(14-10-31-11-14)20(26-19)18-15(24)8-25-9-16(18)29/h1-9,14,29H,10-11H2,(H,27,30)
InChIKeyBXYPWXHXZMDFFB-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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Related Compounds

N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide
CID 176637902
N-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 176637899
N-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 176637838
N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 176637840
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
N-(4-fluorophenyl)furan-2-carboxamide
CID 531893
N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide
CID 176637912
N-[4-(4-fluorophenyl)-5-(4-nitrophenyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 126059630
N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide
CID 176637920
N-(2,5-difluorophenyl)furan-2-carboxamide
CID 2711385
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
N-[6-(5-fluoro-2-methoxyphenyl)-1H-indazol-3-yl]furan-2-carboxamide
CID 69064766

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide (CID 176637940) is N-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1c(-c2ccc(F)cc2)nc(-c2c(O)cncc2F)n1C1COC1)c1ccco1.
What is the InChIKey of N-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is BXYPWXHXZMDFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O4/c23-13-5-3-12(4-6-13)19-21(27-22(30)17-2-1-7-32-17)28(14-10-31-11-14)20(26-19)18-15(24)8-25-9-16(18)29/h1-9,14,29H,10-11H2,(H,27,30).
What are the key properties of N-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide?
N-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-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-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 176637940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).