5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide

C52H42F6N6O5 — CID 162617686

IUPAC5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3-c3cc(-c4ncn(C5CCCC5)c4-c4ccc(C(=O)Nc5ccc(OC(F)(F)F)cc5)o4)ccc3F)ncn2C2CCCC2)o1
InChIInChI=1S/C52H42F6N6O5/c1-29-24-31(53)12-19-41(29)62-51(66)45-23-21-43(68-45)49-47(60-28-64(49)35-8-4-5-9-35)37-17-11-32(54)26-38(37)39-25-30(10-18-40(39)55)46-48(63(27-59-46)34-6-2-3-7-34)42-20-22-44(67-42)50(65)61-33-13-15-36(16-14-33)69-52(56,57)58/h10-28,34-35H,2-9H2,1H3,(H,61,65)(H,62,66)
InChIKeySZYXRQYTDYCTPW-UHFFFAOYSA-N
MW944.93 g/mol
LogP13.96
Rot. Bonds12

About 5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide

5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide (PubChem CID 162617686) has the molecular formula C52H42F6N6O5 and a molecular weight of 944.93 g/mol. Its IUPAC name is 5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
PubChem CID162617686
Molecular FormulaC52H42F6N6O5
Molecular Weight944.93 g/mol
Exact Mass944.31
IUPAC Name5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3-c3cc(-c4ncn(C5CCCC5)c4-c4ccc(C(=O)Nc5ccc(OC(F)(F)F)cc5)o4)ccc3F)ncn2C2CCCC2)o1
InChIInChI=1S/C52H42F6N6O5/c1-29-24-31(53)12-19-41(29)62-51(66)45-23-21-43(68-45)49-47(60-28-64(49)35-8-4-5-9-35)37-17-11-32(54)26-38(37)39-25-30(10-18-40(39)55)46-48(63(27-59-46)34-6-2-3-7-34)42-20-22-44(67-42)50(65)61-33-13-15-36(16-14-33)69-52(56,57)58/h10-28,34-35H,2-9H2,1H3,(H,61,65)(H,62,66)
InChIKeySZYXRQYTDYCTPW-UHFFFAOYSA-N
XLogP13.96
TPSA129.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.93
LogP ≤ 513.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The IUPAC name of 5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide (CID 162617686) is 5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide is Cc1cc(F)ccc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3-c3cc(-c4ncn(C5CCCC5)c4-c4ccc(C(=O)Nc5ccc(OC(F)(F)F)cc5)o4)ccc3F)ncn2C2CCCC2)o1.
What is the InChIKey of 5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
The InChIKey is SZYXRQYTDYCTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42F6N6O5/c1-29-24-31(53)12-19-41(29)62-51(66)45-23-21-43(68-45)49-47(60-28-64(49)35-8-4-5-9-35)37-17-11-32(54)26-38(37)39-25-30(10-18-40(39)55)46-48(63(27-59-46)34-6-2-3-7-34)42-20-22-44(67-42)50(65)61-33-13-15-36(16-14-33)69-52(56,57)58/h10-28,34-35H,2-9H2,1H3,(H,61,65)(H,62,66).
What are the key properties of 5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide?
5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide has a molecular weight of 944.93 g/mol, XLogP of 13.96, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclopentyl-5-[3-[2-[1-cyclopentyl-5-[5-[(4-fluoro-2-methylphenyl)carbamoyl]furan-2-yl]imidazol-4-yl]-5-fluorophenyl]-4-fluorophenyl]imidazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]furan-2-carboxamide is sourced from PubChem (CID 162617686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).