5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide

C24H21FN4O2 — CID 154685901

IUPAC5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccncc3)ncn2C2CCCC2)o1
InChIInChI=1S/C24H21FN4O2/c25-18-7-3-4-8-19(18)28-24(30)21-10-9-20(31-21)23-22(16-11-13-26-14-12-16)27-15-29(23)17-5-1-2-6-17/h3-4,7-15,17H,1-2,5-6H2,(H,28,30)
InChIKeyHAMDXXRICGFPSH-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.71
Rot. Bonds5

About 5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide

5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide (PubChem CID 154685901) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide
PubChem CID154685901
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccncc3)ncn2C2CCCC2)o1
InChIInChI=1S/C24H21FN4O2/c25-18-7-3-4-8-19(18)28-24(30)21-10-9-20(31-21)23-22(16-11-13-26-14-12-16)27-15-29(23)17-5-1-2-6-17/h3-4,7-15,17H,1-2,5-6H2,(H,28,30)
InChIKeyHAMDXXRICGFPSH-UHFFFAOYSA-N
XLogP5.71
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide (CID 154685901) is 5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide is O=C(Nc1ccccc1F)c1ccc(-c2c(-c3ccncc3)ncn2C2CCCC2)o1.
What is the InChIKey of 5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide?
The InChIKey is HAMDXXRICGFPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-18-7-3-4-8-19(18)28-24(30)21-10-9-20(31-21)23-22(16-11-13-26-14-12-16)27-15-29(23)17-5-1-2-6-17/h3-4,7-15,17H,1-2,5-6H2,(H,28,30).
What are the key properties of 5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide?
5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide has a molecular weight of 416.46 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyl-5-pyridin-4-ylimidazol-4-yl)-N-(2-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 154685901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).