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

C24H20F2N4O3 — CID 154685880

IUPAC5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCOC2)o1
InChIInChI=1S/C24H20F2N4O3/c25-17-3-1-16(2-4-17)22-23(30(14-28-22)12-15-8-10-32-13-15)20-5-6-21(33-20)24(31)29-19-7-9-27-11-18(19)26/h1-7,9,11,14-15H,8,10,12-13H2,(H,27,29,31)
InChIKeyVLPQFOXQPCFHRL-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.77
Rot. Bonds6

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

5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide (PubChem CID 154685880) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
PubChem CID154685880
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
SMILESO=C(Nc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCOC2)o1
InChIInChI=1S/C24H20F2N4O3/c25-17-3-1-16(2-4-17)22-23(30(14-28-22)12-15-8-10-32-13-15)20-5-6-21(33-20)24(31)29-19-7-9-27-11-18(19)26/h1-7,9,11,14-15H,8,10,12-13H2,(H,27,29,31)
InChIKeyVLPQFOXQPCFHRL-UHFFFAOYSA-N
XLogP4.77
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide (CID 154685880) is 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide is O=C(Nc1ccncc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2CC2CCOC2)o1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
The InChIKey is VLPQFOXQPCFHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c25-17-3-1-16(2-4-17)22-23(30(14-28-22)12-15-8-10-32-13-15)20-5-6-21(33-20)24(31)29-19-7-9-27-11-18(19)26/h1-7,9,11,14-15H,8,10,12-13H2,(H,27,29,31).
What are the key properties of 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-3-(oxolan-3-ylmethyl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 154685880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).