6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide

C46H44F2N4O6 — CID 123889529

IUPAC6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
SMILESCCc1c[nH]c2c(OC(C)Cc3cc4c5oc(-c6ccc(F)cc6)c(C(=O)NC)c5cc(OC(C)C)c4n3CC)cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c12
InChIInChI=1S/C46H44F2N4O6/c1-8-25-22-51-39-34(20-32-38(46(54)50-7)42(58-44(32)36(25)39)27-12-16-29(48)17-13-27)56-24(5)18-30-19-33-40(52(30)9-2)35(55-23(3)4)21-31-37(45(53)49-6)41(57-43(31)33)26-10-14-28(47)15-11-26/h10-17,19-24,51H,8-9,18H2,1-7H3,(H,49,53)(H,50,54)
InChIKeyOABADOQOLNQBTF-UHFFFAOYSA-N
MW786.88 g/mol
LogP10.33
Rot. Bonds12

About 6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide

6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide (PubChem CID 123889529) has the molecular formula C46H44F2N4O6 and a molecular weight of 786.88 g/mol. Its IUPAC name is 6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound Name6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
PubChem CID123889529
Molecular FormulaC46H44F2N4O6
Molecular Weight786.88 g/mol
Exact Mass786.32
IUPAC Name6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
SMILESCCc1c[nH]c2c(OC(C)Cc3cc4c5oc(-c6ccc(F)cc6)c(C(=O)NC)c5cc(OC(C)C)c4n3CC)cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c12
InChIInChI=1S/C46H44F2N4O6/c1-8-25-22-51-39-34(20-32-38(46(54)50-7)42(58-44(32)36(25)39)27-12-16-29(48)17-13-27)56-24(5)18-30-19-33-40(52(30)9-2)35(55-23(3)4)21-31-37(45(53)49-6)41(57-43(31)33)26-10-14-28(47)15-11-26/h10-17,19-24,51H,8-9,18H2,1-7H3,(H,49,53)(H,50,54)
InChIKeyOABADOQOLNQBTF-UHFFFAOYSA-N
XLogP10.33
TPSA123.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.88
LogP ≤ 510.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide with MolForge

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Related Compounds

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2-(4-fluorophenyl)-N-methyl-6-morpholino-5-(4-pyridylmethoxy)benzofuran-3-carboxamide
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CID 58745113
5-(3-(4-fluorobenzo[d]oxazol-2-yl)-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxooxazolidin-3-yl)benzofuran-3-carboxamide
CID 67394277
5-[3-(4-fluoro-1,3-benzoxazol-2-yl)-4-(1,3-oxazol-5-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 68239696
[(3S,5S)-8-[4-(4-fluorophenoxy)phenyl]-5-methyl-7-(methylcarbamoyl)-1-methylsulfonyl-3,5-dihydro-2H-furo[3,2-h][4,1]benzoxazepin-3-yl]methyl (2S)-2-amino-2-(1H-indol-3-yl)acetate
CID 70800931
2-(4-fluorophenyl)-5-[4-(1H-indol-2-yl)-5-methoxy-2-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
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5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-6-methoxy-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide
CID 89434414
5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89436479
5-[5-(4-fluoro-1,3-benzoxazol-2-yl)-1-methylpyrrol-3-yl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 89436519
ethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate
CID 118384364

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The IUPAC name of 6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide (CID 123889529) is 6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide.
What is the SMILES notation for 6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The canonical SMILES for 6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is CCc1c[nH]c2c(OC(C)Cc3cc4c5oc(-c6ccc(F)cc6)c(C(=O)NC)c5cc(OC(C)C)c4n3CC)cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3c12.
What is the InChIKey of 6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
The InChIKey is OABADOQOLNQBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44F2N4O6/c1-8-25-22-51-39-34(20-32-38(46(54)50-7)42(58-44(32)36(25)39)27-12-16-29(48)17-13-27)56-24(5)18-30-19-33-40(52(30)9-2)35(55-23(3)4)21-31-37(45(53)49-6)41(57-43(31)33)26-10-14-28(47)15-11-26/h10-17,19-24,51H,8-9,18H2,1-7H3,(H,49,53)(H,50,54).
What are the key properties of 6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide?
6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide has a molecular weight of 786.88 g/mol, XLogP of 10.33, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-7-[2-[[8-ethyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]oxy]propyl]-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 123889529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).