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

C24H20F2N4O3 — CID 160565769

IUPAC5-[5-(4-fluorophenyl)-3-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
SMILESCC1COCC1n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccncc2F)o1
InChIInChI=1S/C24H20F2N4O3/c1-14-11-32-12-19(14)30-13-28-22(15-2-4-16(25)5-3-15)23(30)20-6-7-21(33-20)24(31)29-18-8-9-27-10-17(18)26/h2-10,13-14,19H,11-12H2,1H3,(H,27,29,31)
InChIKeyFFIMZVLJZYNWRP-UHFFFAOYSA-N
MW450.45 g/mol
LogP4.94
Rot. Bonds5

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

5-[5-(4-fluorophenyl)-3-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide (PubChem CID 160565769) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-3-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-3-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
PubChem CID160565769
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name5-[5-(4-fluorophenyl)-3-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide
SMILESCC1COCC1n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccncc2F)o1
InChIInChI=1S/C24H20F2N4O3/c1-14-11-32-12-19(14)30-13-28-22(15-2-4-16(25)5-3-15)23(30)20-6-7-21(33-20)24(31)29-18-8-9-27-10-17(18)26/h2-10,13-14,19H,11-12H2,1H3,(H,27,29,31)
InChIKeyFFIMZVLJZYNWRP-UHFFFAOYSA-N
XLogP4.94
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 54.94
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-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[5-(4-fluorophenyl)-3-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide (CID 160565769) is 5-[5-(4-fluorophenyl)-3-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-3-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[5-(4-fluorophenyl)-3-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide is CC1COCC1n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccncc2F)o1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-3-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
The InChIKey is FFIMZVLJZYNWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c1-14-11-32-12-19(14)30-13-28-22(15-2-4-16(25)5-3-15)23(30)20-6-7-21(33-20)24(31)29-18-8-9-27-10-17(18)26/h2-10,13-14,19H,11-12H2,1H3,(H,27,29,31).
What are the key properties of 5-[5-(4-fluorophenyl)-3-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide?
5-[5-(4-fluorophenyl)-3-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide has a molecular weight of 450.45 g/mol, XLogP of 4.94, 5 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-(4-methyloxolan-3-yl)imidazol-4-yl]-N-(3-fluoro-4-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 160565769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).