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

C43H38N4O5 — CID 175286342

IUPAC1,5-bis(furan-2-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one
SMILESCOc1ccccc1NC(c1ccco1)C(C(=O)C(c1c[nH]c2ccccc12)C(Nc1ccccc1OC)c1ccco1)c1c[nH]c2ccccc12
InChIInChI=1S/C43H38N4O5/c1-49-35-19-9-7-17-33(35)46-41(37-21-11-23-51-37)39(29-25-44-31-15-5-3-13-27(29)31)43(48)40(30-26-45-32-16-6-4-14-28(30)32)42(38-22-12-24-52-38)47-34-18-8-10-20-36(34)50-2/h3-26,39-42,44-47H,1-2H3
InChIKeyVGSDLDCNRFSZQR-UHFFFAOYSA-N
MW690.80 g/mol
LogP10.00
Rot. Bonds14

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

1,5-bis(furan-2-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one (PubChem CID 175286342) has the molecular formula C43H38N4O5 and a molecular weight of 690.80 g/mol. Its IUPAC name is 1,5-bis(furan-2-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(furan-2-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one
PubChem CID175286342
Molecular FormulaC43H38N4O5
Molecular Weight690.80 g/mol
Exact Mass690.28
IUPAC Name1,5-bis(furan-2-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one
SMILESCOc1ccccc1NC(c1ccco1)C(C(=O)C(c1c[nH]c2ccccc12)C(Nc1ccccc1OC)c1ccco1)c1c[nH]c2ccccc12
InChIInChI=1S/C43H38N4O5/c1-49-35-19-9-7-17-33(35)46-41(37-21-11-23-51-37)39(29-25-44-31-15-5-3-13-27(29)31)43(48)40(30-26-45-32-16-6-4-14-28(30)32)42(38-22-12-24-52-38)47-34-18-8-10-20-36(34)50-2/h3-26,39-42,44-47H,1-2H3
InChIKeyVGSDLDCNRFSZQR-UHFFFAOYSA-N
XLogP10.00
TPSA117.45 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.80
LogP ≤ 510.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1,5-bis(2-ethylpyrazol-3-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one
CID 174735424
1,5-bis(6-ethoxy-3-pyridinyl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one
CID 174735295
2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)-1,5-bis(3-pyrimidin-5-ylphenyl)pentan-3-one
CID 174735255
methyl (2S,3R)-3-(furan-2-yl)-2-methoxy-3-(2-methoxyanilino)propanoate
CID 10780893
1,5-bis(3,5-dimethoxyanilino)-2,4-bis(1H-indol-3-yl)-1,5-bis(6-methoxy-3-pyridinyl)pentan-3-one
CID 174735676
[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]azanium
CID 8514152
2-(furan-2-yl)-1-(1H-indol-3-yl)-2-(3-methoxyanilino)ethanone
CID 86728606
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
CID 2374175
2-[(S)-furan-2-yl-(2-methoxyanilino)methyl]sulfanylacetic acid
CID 51567261
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 2459996
(2R)-1-(1H-indol-3-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one
CID 9220727
methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(furan-2-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one?
The IUPAC name of 1,5-bis(furan-2-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one (CID 175286342) is 1,5-bis(furan-2-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one.
What is the SMILES notation for 1,5-bis(furan-2-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one?
The canonical SMILES for 1,5-bis(furan-2-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one is COc1ccccc1NC(c1ccco1)C(C(=O)C(c1c[nH]c2ccccc12)C(Nc1ccccc1OC)c1ccco1)c1c[nH]c2ccccc12.
What is the InChIKey of 1,5-bis(furan-2-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one?
The InChIKey is VGSDLDCNRFSZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38N4O5/c1-49-35-19-9-7-17-33(35)46-41(37-21-11-23-51-37)39(29-25-44-31-15-5-3-13-27(29)31)43(48)40(30-26-45-32-16-6-4-14-28(30)32)42(38-22-12-24-52-38)47-34-18-8-10-20-36(34)50-2/h3-26,39-42,44-47H,1-2H3.
What are the key properties of 1,5-bis(furan-2-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one?
1,5-bis(furan-2-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one has a molecular weight of 690.80 g/mol, XLogP of 10.00, 14 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(furan-2-yl)-2,4-bis(1H-indol-3-yl)-1,5-bis(2-methoxyanilino)pentan-3-one is sourced from PubChem (CID 175286342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).