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

C24H21FN4O4 — CID 154685966

IUPAC5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide
SMILESCOc1cnccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCOC2)o1
InChIInChI=1S/C24H21FN4O4/c1-31-21-12-26-10-8-18(21)28-24(30)20-7-6-19(33-20)23-22(15-2-4-16(25)5-3-15)27-14-29(23)17-9-11-32-13-17/h2-8,10,12,14,17H,9,11,13H2,1H3,(H,26,28,30)
InChIKeyLMRFBZINQJGYEX-UHFFFAOYSA-N
MW448.45 g/mol
LogP4.57
Rot. Bonds6

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

5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide (PubChem CID 154685966) has the molecular formula C24H21FN4O4 and a molecular weight of 448.45 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide
PubChem CID154685966
Molecular FormulaC24H21FN4O4
Molecular Weight448.45 g/mol
Exact Mass448.15
IUPAC Name5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide
SMILESCOc1cnccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCOC2)o1
InChIInChI=1S/C24H21FN4O4/c1-31-21-12-26-10-8-18(21)28-24(30)20-7-6-19(33-20)23-22(15-2-4-16(25)5-3-15)27-14-29(23)17-9-11-32-13-17/h2-8,10,12,14,17H,9,11,13H2,1H3,(H,26,28,30)
InChIKeyLMRFBZINQJGYEX-UHFFFAOYSA-N
XLogP4.57
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide (CID 154685966) is 5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide is COc1cnccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCOC2)o1.
What is the InChIKey of 5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide?
The InChIKey is LMRFBZINQJGYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O4/c1-31-21-12-26-10-8-18(21)28-24(30)20-7-6-19(33-20)23-22(15-2-4-16(25)5-3-15)27-14-29(23)17-9-11-32-13-17/h2-8,10,12,14,17H,9,11,13H2,1H3,(H,26,28,30).
What are the key properties of 5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide?
5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 154685966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).