5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide

C54H50F2N6O6 — CID 154685921

IUPAC5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc(OCCc2cccc(NC(=O)c3ccc(-c4c(-c5ccc(F)cc5)ncn4C4CCCC4)o3)c2C)c1
InChIInChI=1S/C54H50F2N6O6/c1-33-34(8-7-13-44(33)60-54(64)48-25-23-46(68-48)52-50(36-16-20-38(56)21-17-36)58-32-62(52)41-11-5-6-12-41)26-27-66-43-29-39(28-42(30-43)65-2)59-53(63)47-24-22-45(67-47)51-49(35-14-18-37(55)19-15-35)57-31-61(51)40-9-3-4-10-40/h7-8,13-25,28-32,40-41H,3-6,9-12,26-27H2,1-2H3,(H,59,63)(H,60,64)
InChIKeyKTEYSFZCCSABOM-UHFFFAOYSA-N
MW917.03 g/mol
LogP12.89
Rot. Bonds15

About 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide

5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide (PubChem CID 154685921) has the molecular formula C54H50F2N6O6 and a molecular weight of 917.03 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide
PubChem CID154685921
Molecular FormulaC54H50F2N6O6
Molecular Weight917.03 g/mol
Exact Mass916.38
IUPAC Name5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc(OCCc2cccc(NC(=O)c3ccc(-c4c(-c5ccc(F)cc5)ncn4C4CCCC4)o3)c2C)c1
InChIInChI=1S/C54H50F2N6O6/c1-33-34(8-7-13-44(33)60-54(64)48-25-23-46(68-48)52-50(36-16-20-38(56)21-17-36)58-32-62(52)41-11-5-6-12-41)26-27-66-43-29-39(28-42(30-43)65-2)59-53(63)47-24-22-45(67-47)51-49(35-14-18-37(55)19-15-35)57-31-61(51)40-9-3-4-10-40/h7-8,13-25,28-32,40-41H,3-6,9-12,26-27H2,1-2H3,(H,59,63)(H,60,64)
InChIKeyKTEYSFZCCSABOM-UHFFFAOYSA-N
XLogP12.89
TPSA138.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.03
LogP ≤ 512.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide with MolForge

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Related Compounds

5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 53036067
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 53036074
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2-fluorophenyl)furan-2-carboxamide
CID 53036078
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(3-fluorophenyl)furan-2-carboxamide
CID 53036079
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide
CID 53036080
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2-methylphenyl)furan-2-carboxamide
CID 53036086
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2,5-dimethylphenyl)furan-2-carboxamide
CID 53036087
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(3-ethylphenyl)furan-2-carboxamide
CID 53036097
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 53036098
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluoro-2-methylphenyl)furan-2-carboxamide
CID 53036103
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(3-methylphenyl)furan-2-carboxamide
CID 53036105
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 53036109

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide (CID 154685921) is 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide is COc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc(OCCc2cccc(NC(=O)c3ccc(-c4c(-c5ccc(F)cc5)ncn4C4CCCC4)o3)c2C)c1.
What is the InChIKey of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide?
The InChIKey is KTEYSFZCCSABOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H50F2N6O6/c1-33-34(8-7-13-44(33)60-54(64)48-25-23-46(68-48)52-50(36-16-20-38(56)21-17-36)58-32-62(52)41-11-5-6-12-41)26-27-66-43-29-39(28-42(30-43)65-2)59-53(63)47-24-22-45(67-47)51-49(35-14-18-37(55)19-15-35)57-31-61(51)40-9-3-4-10-40/h7-8,13-25,28-32,40-41H,3-6,9-12,26-27H2,1-2H3,(H,59,63)(H,60,64).
What are the key properties of 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide?
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide has a molecular weight of 917.03 g/mol, XLogP of 12.89, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[3-[2-[3-[[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]amino]-5-methoxyphenoxy]ethyl]-2-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 154685921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).