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

C23H17F3N4O4 — CID 154685940

IUPACN-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1c(O)cncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COCC2F)o1
InChIInChI=1S/C23H17F3N4O4/c24-13-3-1-12(2-4-13)20-22(30(11-28-20)16-10-33-9-15(16)26)18-5-6-19(34-18)23(32)29-21-14(25)7-27-8-17(21)31/h1-8,11,15-16,31H,9-10H2,(H,27,29,32)
InChIKeyPYQZAPIUVBCSBR-UHFFFAOYSA-N
MW470.41 g/mol
LogP4.35
Rot. Bonds5

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

N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 154685940) has the molecular formula C23H17F3N4O4 and a molecular weight of 470.41 g/mol. Its IUPAC name is N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID154685940
Molecular FormulaC23H17F3N4O4
Molecular Weight470.41 g/mol
Exact Mass470.12
IUPAC NameN-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1c(O)cncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COCC2F)o1
InChIInChI=1S/C23H17F3N4O4/c24-13-3-1-12(2-4-13)20-22(30(11-28-20)16-10-33-9-15(16)26)18-5-6-19(34-18)23(32)29-21-14(25)7-27-8-17(21)31/h1-8,11,15-16,31H,9-10H2,(H,27,29,32)
InChIKeyPYQZAPIUVBCSBR-UHFFFAOYSA-N
XLogP4.35
TPSA102.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.41
LogP ≤ 54.35
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-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 154685940) is N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1c(O)cncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2COCC2F)o1.
What is the InChIKey of N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is PYQZAPIUVBCSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O4/c24-13-3-1-12(2-4-13)20-22(30(11-28-20)16-10-33-9-15(16)26)18-5-6-19(34-18)23(32)29-21-14(25)7-27-8-17(21)31/h1-8,11,15-16,31H,9-10H2,(H,27,29,32).
What are the key properties of N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-(3-fluoro-5-hydroxy-4-pyridinyl)-5-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 470.41 g/mol, XLogP of 4.35, 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-[3-(4-fluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 154685940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).