5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide

C84H67F10N9O12 — CID 123189494

IUPAC5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
SMILESCNC(=O)C(=O)c1c[nH]c2c(OC(C)C)cc3c(C(=O)NCc4cc5c([nH]4)c(-c4ccc(OCCc6cc7c([nH]6)c(-c6cccc(C(=O)NC(C)(C)C)c6)cc6c(C(=O)NC)c(-c8ccc(F)cc8)oc67)c(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)c4)cc4c(C(=O)NC)c(-c6ccc(F)cc6)oc45)c(-c4ccc(F)cc4)oc3c12
InChIInChI=1S/C84H67F10N9O12/c1-38(2)112-60-34-55-64(71(41-16-23-47(87)24-17-41)115-74(55)61-58(36-98-67(60)61)68(104)80(110)97-8)79(109)99-35-49-31-57-66(102-49)51(33-54-63(78(108)96-7)70(114-73(54)57)40-14-21-46(86)22-15-40)43-18-25-59(52(29-43)76(106)100-37-82(88,89)83(90,91)84(92,93)94)111-27-26-48-30-56-65(101-48)50(42-10-9-11-44(28-42)75(105)103-81(3,4)5)32-53-62(77(107)95-6)69(113-72(53)56)39-12-19-45(85)20-13-39/h9-25,28-34,36,38,98,101-102H,26-27,35,37H2,1-8H3,(H,95,107)(H,96,108)(H,97,110)(H,99,109)(H,100,106)(H,103,105)
InChIKeyAEIUGLUVWFDJKW-UHFFFAOYSA-N
MW1584.49 g/mol
LogP17.20
Rot. Bonds23

About 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide

5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide (PubChem CID 123189494) has the molecular formula C84H67F10N9O12 and a molecular weight of 1584.49 g/mol. Its IUPAC name is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide.

Molecular Properties

Compound Name5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
PubChem CID123189494
Molecular FormulaC84H67F10N9O12
Molecular Weight1584.49 g/mol
Exact Mass1583.47
IUPAC Name5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
SMILESCNC(=O)C(=O)c1c[nH]c2c(OC(C)C)cc3c(C(=O)NCc4cc5c([nH]4)c(-c4ccc(OCCc6cc7c([nH]6)c(-c6cccc(C(=O)NC(C)(C)C)c6)cc6c(C(=O)NC)c(-c8ccc(F)cc8)oc67)c(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)c4)cc4c(C(=O)NC)c(-c6ccc(F)cc6)oc45)c(-c4ccc(F)cc4)oc3c12
InChIInChI=1S/C84H67F10N9O12/c1-38(2)112-60-34-55-64(71(41-16-23-47(87)24-17-41)115-74(55)61-58(36-98-67(60)61)68(104)80(110)97-8)79(109)99-35-49-31-57-66(102-49)51(33-54-63(78(108)96-7)70(114-73(54)57)40-14-21-46(86)22-15-40)43-18-25-59(52(29-43)76(106)100-37-82(88,89)83(90,91)84(92,93)94)111-27-26-48-30-56-65(101-48)50(42-10-9-11-44(28-42)75(105)103-81(3,4)5)32-53-62(77(107)95-6)69(113-72(53)56)39-12-19-45(85)20-13-39/h9-25,28-34,36,38,98,101-102H,26-27,35,37H2,1-8H3,(H,95,107)(H,96,108)(H,97,110)(H,99,109)(H,100,106)(H,103,105)
InChIKeyAEIUGLUVWFDJKW-UHFFFAOYSA-N
XLogP17.20
TPSA296.92 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001584.49
LogP ≤ 517.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide with MolForge

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Related Compounds

(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
CID 162655894
ethyl 2-(4-fluorophenyl)-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxylate
CID 118384364
2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
CID 118384365
2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetyl chloride
CID 118384377
2-(4-fluorophenyl)-N-methyl-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
CID 118398812
6-(2,2-difluoroethyl)-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
CID 118398828
6-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
CID 118398829
8-ethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carboxamide
CID 118398830
N,6-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
CID 118398831
2-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-5-propan-2-yloxy-6H-furo[2,3-e]indol-8-yl]-2-oxoacetic acid
CID 118398838
6,8-diethyl-2-(4-fluorophenyl)-N-methyl-5-propan-2-yloxyfuro[2,3-e]indole-3-carboxamide
CID 118398839
8-(2-anilino-2-oxoacetyl)-5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6H-furo[2,3-e]indole-3-carboxamide
CID 118398850

Frequently Asked Questions

What is the IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide?
The IUPAC name of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide (CID 123189494) is 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide.
What is the SMILES notation for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide?
The canonical SMILES for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide is CNC(=O)C(=O)c1c[nH]c2c(OC(C)C)cc3c(C(=O)NCc4cc5c([nH]4)c(-c4ccc(OCCc6cc7c([nH]6)c(-c6cccc(C(=O)NC(C)(C)C)c6)cc6c(C(=O)NC)c(-c8ccc(F)cc8)oc67)c(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)c4)cc4c(C(=O)NC)c(-c6ccc(F)cc6)oc45)c(-c4ccc(F)cc4)oc3c12.
What is the InChIKey of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide?
The InChIKey is AEIUGLUVWFDJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H67F10N9O12/c1-38(2)112-60-34-55-64(71(41-16-23-47(87)24-17-41)115-74(55)61-58(36-98-67(60)61)68(104)80(110)97-8)79(109)99-35-49-31-57-66(102-49)51(33-54-63(78(108)96-7)70(114-73(54)57)40-14-21-46(86)22-15-40)43-18-25-59(52(29-43)76(106)100-37-82(88,89)83(90,91)84(92,93)94)111-27-26-48-30-56-65(101-48)50(42-10-9-11-44(28-42)75(105)103-81(3,4)5)32-53-62(77(107)95-6)69(113-72(53)56)39-12-19-45(85)20-13-39/h9-25,28-34,36,38,98,101-102H,26-27,35,37H2,1-8H3,(H,95,107)(H,96,108)(H,97,110)(H,99,109)(H,100,106)(H,103,105).
What are the key properties of 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide?
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide has a molecular weight of 1584.49 g/mol, XLogP of 17.20, 23 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-7-[2-[4-[2-(4-fluorophenyl)-7-[[[2-(4-fluorophenyl)-8-[2-(methylamino)-2-oxoacetyl]-5-propan-2-yloxy-6H-furo[2,3-e]indole-3-carbonyl]amino]methyl]-3-(methylcarbamoyl)-6H-furo[2,3-e]indol-5-yl]-2-(2,2,3,3,4,4,4-heptafluorobutylcarbamoyl)phenoxy]ethyl]-N-methyl-6H-furo[2,3-e]indole-3-carboxamide is sourced from PubChem (CID 123189494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).