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

C23H18F2N4O3 — CID 154685948

IUPACN-(5-fluoro-2-methyl-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3COC3)o2)c(F)cn1
InChIInChI=1S/C23H18F2N4O3/c1-13-8-18(17(25)9-26-13)28-23(30)20-7-6-19(32-20)22-21(14-2-4-15(24)5-3-14)27-12-29(22)16-10-31-11-16/h2-9,12,16H,10-11H2,1H3,(H,26,28,30)
InChIKeyWCCMSFLKQHUQAF-UHFFFAOYSA-N
MW436.42 g/mol
LogP4.62
Rot. Bonds5

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

N-(5-fluoro-2-methyl-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 154685948) has the molecular formula C23H18F2N4O3 and a molecular weight of 436.42 g/mol. Its IUPAC name is N-(5-fluoro-2-methyl-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methyl-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide
PubChem CID154685948
Molecular FormulaC23H18F2N4O3
Molecular Weight436.42 g/mol
Exact Mass436.13
IUPAC NameN-(5-fluoro-2-methyl-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3COC3)o2)c(F)cn1
InChIInChI=1S/C23H18F2N4O3/c1-13-8-18(17(25)9-26-13)28-23(30)20-7-6-19(32-20)22-21(14-2-4-15(24)5-3-14)27-12-29(22)16-10-31-11-16/h2-9,12,16H,10-11H2,1H3,(H,26,28,30)
InChIKeyWCCMSFLKQHUQAF-UHFFFAOYSA-N
XLogP4.62
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methyl-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(5-fluoro-2-methyl-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide (CID 154685948) is N-(5-fluoro-2-methyl-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methyl-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methyl-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide is Cc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3COC3)o2)c(F)cn1.
What is the InChIKey of N-(5-fluoro-2-methyl-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is WCCMSFLKQHUQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O3/c1-13-8-18(17(25)9-26-13)28-23(30)20-7-6-19(32-20)22-21(14-2-4-15(24)5-3-14)27-12-29(22)16-10-31-11-16/h2-9,12,16H,10-11H2,1H3,(H,26,28,30).
What are the key properties of N-(5-fluoro-2-methyl-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide?
N-(5-fluoro-2-methyl-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 436.42 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methyl-4-pyridinyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 154685948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).