1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one

C47H40F2N4O3 — CID 174735548

IUPAC1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one
SMILESCOc1ccccc1NC(c1ccc(F)cc1)C(C(=O)C(c1c[nH]c2ccccc12)C(Nc1ccccc1OC)c1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C47H40F2N4O3/c1-55-41-17-9-7-15-39(41)52-45(29-19-23-31(48)24-20-29)43(35-27-50-37-13-5-3-11-33(35)37)47(54)44(36-28-51-38-14-6-4-12-34(36)38)46(30-21-25-32(49)26-22-30)53-40-16-8-10-18-42(40)56-2/h3-28,43-46,50-53H,1-2H3
InChIKeyHCLKZTZJSMYTOK-UHFFFAOYSA-N
MW746.86 g/mol
LogP11.09
Rot. Bonds14

About 1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one

1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one (PubChem CID 174735548) has the molecular formula C47H40F2N4O3 and a molecular weight of 746.86 g/mol. Its IUPAC name is 1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one
PubChem CID174735548
Molecular FormulaC47H40F2N4O3
Molecular Weight746.86 g/mol
Exact Mass746.31
IUPAC Name1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one
SMILESCOc1ccccc1NC(c1ccc(F)cc1)C(C(=O)C(c1c[nH]c2ccccc12)C(Nc1ccccc1OC)c1ccc(F)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C47H40F2N4O3/c1-55-41-17-9-7-15-39(41)52-45(29-19-23-31(48)24-20-29)43(35-27-50-37-13-5-3-11-33(35)37)47(54)44(36-28-51-38-14-6-4-12-34(36)38)46(30-21-25-32(49)26-22-30)53-40-16-8-10-18-42(40)56-2/h3-28,43-46,50-53H,1-2H3
InChIKeyHCLKZTZJSMYTOK-UHFFFAOYSA-N
XLogP11.09
TPSA91.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.86
LogP ≤ 511.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one with MolForge

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Related Compounds

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2-(1H-indol-3-yl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]acetamide
CID 73438501
p-ACETANISIDIDE, 2-INDOL-3-YL-
CID 42606
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2-(1-methoxyindol-3-yl)-N-(2-methoxyphenyl)acetamide
CID 141490263
N-cyclohexyl-2-(4-fluorophenyl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methoxyanilino)acetamide
CID 3190743
3-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]propanamide
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1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16489541
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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one?
The IUPAC name of 1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one (CID 174735548) is 1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one.
What is the SMILES notation for 1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one?
The canonical SMILES for 1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one is COc1ccccc1NC(c1ccc(F)cc1)C(C(=O)C(c1c[nH]c2ccccc12)C(Nc1ccccc1OC)c1ccc(F)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of 1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one?
The InChIKey is HCLKZTZJSMYTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40F2N4O3/c1-55-41-17-9-7-15-39(41)52-45(29-19-23-31(48)24-20-29)43(35-27-50-37-13-5-3-11-33(35)37)47(54)44(36-28-51-38-14-6-4-12-34(36)38)46(30-21-25-32(49)26-22-30)53-40-16-8-10-18-42(40)56-2/h3-28,43-46,50-53H,1-2H3.
What are the key properties of 1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one?
1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one has a molecular weight of 746.86 g/mol, XLogP of 11.09, 14 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-fluorophenyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one is sourced from PubChem (CID 174735548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).