ethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate

C43H37F2N3O7 — CID 123916601

IUPACethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1[nH]c(CC(C)Oc3cc4c(C(=O)NC)c(-c5ccc(F)cc5)oc4c4cc[nH]c34)cc12
InChIInChI=1S/C43H37F2N3O7/c1-6-51-43(50)35-30-20-33(52-21(2)3)37-31(41(30)55-39(35)24-9-13-26(45)14-10-24)18-27(48-37)17-22(4)53-32-19-29-34(42(49)46-5)38(23-7-11-25(44)12-8-23)54-40(29)28-15-16-47-36(28)32/h7-16,18-22,47-48H,6,17H2,1-5H3,(H,46,49)
InChIKeyYPHGTLCUWLUGLF-UHFFFAOYSA-N
MW745.78 g/mol
LogP10.09
Rot. Bonds11

About ethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate

ethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate (PubChem CID 123916601) has the molecular formula C43H37F2N3O7 and a molecular weight of 745.78 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate
PubChem CID123916601
Molecular FormulaC43H37F2N3O7
Molecular Weight745.78 g/mol
Exact Mass745.26
IUPAC Nameethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1[nH]c(CC(C)Oc3cc4c(C(=O)NC)c(-c5ccc(F)cc5)oc4c4cc[nH]c34)cc12
InChIInChI=1S/C43H37F2N3O7/c1-6-51-43(50)35-30-20-33(52-21(2)3)37-31(41(30)55-39(35)24-9-13-26(45)14-10-24)18-27(48-37)17-22(4)53-32-19-29-34(42(49)46-5)38(23-7-11-25(44)12-8-23)54-40(29)28-15-16-47-36(28)32/h7-16,18-22,47-48H,6,17H2,1-5H3,(H,46,49)
InChIKeyYPHGTLCUWLUGLF-UHFFFAOYSA-N
XLogP10.09
TPSA131.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.78
LogP ≤ 510.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate with MolForge

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Related Compounds

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(2S)-2-[[4-[[(2S)-2-[[4-[2-[[4-[[(2S)-1-[4-[[(1S)-1-carboxy-3-methylbutyl]carbamoyl]-3-[2-(1H-indol-3-yl)ethoxy]anilino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]ethylamino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2-(1H-indol-3-yl)ethoxy]benzoyl]amino]-4-methylpentanoic acid
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tert-butyl 3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate (CID 123916601) is ethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate is CCOC(=O)c1c(-c2ccc(F)cc2)oc2c1cc(OC(C)C)c1[nH]c(CC(C)Oc3cc4c(C(=O)NC)c(-c5ccc(F)cc5)oc4c4cc[nH]c34)cc12.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate?
The InChIKey is YPHGTLCUWLUGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37F2N3O7/c1-6-51-43(50)35-30-20-33(52-21(2)3)37-31(41(30)55-39(35)24-9-13-26(45)14-10-24)18-27(48-37)17-22(4)53-32-19-29-34(42(49)46-5)38(23-7-11-25(44)12-8-23)54-40(29)28-15-16-47-36(28)32/h7-16,18-22,47-48H,6,17H2,1-5H3,(H,46,49).
What are the key properties of ethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate?
ethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate has a molecular weight of 745.78 g/mol, XLogP of 10.09, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-7-[2-[[2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate is sourced from PubChem (CID 123916601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).