Skip to content

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

C27H27FN4O2 — CID 176637920

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide
SMILESCC(C)c1ccc(-c2ncn(C3CCCC3)c2-c2cncc(F)c2NC(=O)c2ccco2)cc1
InChIInChI=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)
InChIKeyFUSFVEUIIUPIGU-UHFFFAOYSA-N
MW458.54 g/mol
LogP6.84
Rot. Bonds6

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 NameN-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide
PubChem CID176637920
Molecular FormulaC27H27FN4O2
Molecular Weight458.54 g/mol
Exact Mass458.21
IUPAC NameN-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide
SMILESCC(C)c1ccc(-c2ncn(C3CCCC3)c2-c2cncc(F)c2NC(=O)c2ccco2)cc1
InChIInChI=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)
InChIKeyFUSFVEUIIUPIGU-UHFFFAOYSA-N
XLogP6.84
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.54
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.