N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide

C27H27FN4O2 — CID 176637920

About N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide

N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide (PubChem CID 176637920) has the molecular formula C27H27FN4O2 and a molecular weight of 458.54 g/mol. Its IUPAC name is N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide
• PubChem CID: 176637920
• Molecular Formula: C27H27FN4O2
• Molecular Weight: 458.54 g/mol
• Exact Mass: 458.21
• IUPAC Name: N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide
• SMILES: CC(C)c1ccc(-c2ncn(C3CCCC3)c2-c2cncc(F)c2NC(=O)c2ccco2)cc1
• InChI: InChI=1S/C27H27FN4O2/c1-17(2)18-9-11-19(12-10-18)24-26(32(16-30-24)20-6-3-4-7-20)21-14-29-15-22(28)25(21)31-27(33)23-8-5-13-34-23/h5,8-17,20H,3-4,6-7H2,1-2H3,(H,29,31,33)
• InChIKey: FUSFVEUIIUPIGU-UHFFFAOYSA-N
• XLogP: 6.84
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.54
LogP ≤ 5	6.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide?

The IUPAC name of N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide (CID 176637920) is N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide?

The canonical SMILES for N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide is CC(C)c1ccc(-c2ncn(C3CCCC3)c2-c2cncc(F)c2NC(=O)c2ccco2)cc1.

What is the InChIKey of N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide?

The InChIKey is FUSFVEUIIUPIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O2/c1-17(2)18-9-11-19(12-10-18)24-26(32(16-30-24)20-6-3-4-7-20)21-14-29-15-22(28)25(21)31-27(33)23-8-5-13-34-23/h5,8-17,20H,3-4,6-7H2,1-2H3,(H,29,31,33).

What are the key properties of N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide?

N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 6.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 176637920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).