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

C25H23FN4O3 — CID 155069016

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide
SMILESCOc1cnccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C25H23FN4O3/c1-32-22-14-27-13-12-19(22)29-25(31)21-11-10-20(33-21)24-23(16-6-8-17(26)9-7-16)28-15-30(24)18-4-2-3-5-18/h6-15,18H,2-5H2,1H3,(H,27,29,31)
InChIKeyKDQBVTAHXVNGBG-UHFFFAOYSA-N
MW446.48 g/mol
LogP5.72
Rot. Bonds6

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

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide (PubChem CID 155069016) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide
PubChem CID155069016
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide
SMILESCOc1cnccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C25H23FN4O3/c1-32-22-14-27-13-12-19(22)29-25(31)21-11-10-20(33-21)24-23(16-6-8-17(26)9-7-16)28-15-30(24)18-4-2-3-5-18/h6-15,18H,2-5H2,1H3,(H,27,29,31)
InChIKeyKDQBVTAHXVNGBG-UHFFFAOYSA-N
XLogP5.72
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.48
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide (CID 155069016) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide is COc1cnccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide?
The InChIKey is KDQBVTAHXVNGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-32-22-14-27-13-12-19(22)29-25(31)21-11-10-20(33-21)24-23(16-6-8-17(26)9-7-16)28-15-30(24)18-4-2-3-5-18/h6-15,18H,2-5H2,1H3,(H,27,29,31).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide has a molecular weight of 446.48 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 155069016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).