ethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)

C133H124F12N14O23Rh2 — CID 160901167

IUPACethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)
SMILESC.CCOC(=O)COc1nccc2c1c(C(=O)C(N)=O)c(CC)n2Cc1ccccc1-c1ccccc1.CCOC(=O)COc1nccc2c1cc(CC)n2Cc1ccccc1-c1ccccc1.CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)nccc2n1Cc1ccccc1-c1ccccc1.CCc1cc2c(=O)[nH]ccc2n1Cc1ccccc1-c1ccccc1.CCc1ccc(/C=C/C(=O)N=[N+]=[N-])n1Cc1ccccc1-c1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Rh].[Rh]
InChIInChI=1S/C28H27N3O5.C26H23N3O5.C26H26N2O3.C22H20N4O.C22H20N2O.4C2HF3O2.CH4.2Rh/c1-3-21-24(26(33)27(29)34)25-22(14-15-30-28(25)36-17-23(32)35-4-2)31(21)16-19-12-8-9-13-20(19)18-10-6-5-7-11-18;1-2-19-22(24(32)25(27)33)23-20(12-13-28-26(23)34-15-21(30)31)29(19)14-17-10-6-7-11-18(17)16-8-4-3-5-9-16;1-3-21-16-23-24(14-15-27-26(23)31-18-25(29)30-4-2)28(21)17-20-12-8-9-13-22(20)19-10-6-5-7-11-19;1-2-19-12-13-20(14-15-22(27)24-25-23)26(19)16-18-10-6-7-11-21(18)17-8-4-3-5-9-17;1-2-18-14-20-21(12-13-23-22(20)25)24(18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16;4*3-2(4,5)1(6)7;;;/h5-15H,3-4,16-17H2,1-2H3,(H2,29,34);3-13H,2,14-15H2,1H3,(H2,27,33)(H,30,31);5-16H,3-4,17-18H2,1-2H3;3-15H,2,16H2,1H3;3-14H,2,15H2,1H3,(H,23,25);4*(H,6,7);1H4;;/b;;;15-14+;;;;;;;;
InChIKeyDIAKBXLOFNSYLY-WRMSFARBSA-N
MW2720.32 g/mol
LogP26.01
Rot. Bonds37

About ethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)

ethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid) (PubChem CID 160901167) has the molecular formula C133H124F12N14O23Rh2 and a molecular weight of 2720.32 g/mol. Its IUPAC name is ethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Nameethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)
PubChem CID160901167
Molecular FormulaC133H124F12N14O23Rh2
Molecular Weight2720.32 g/mol
Exact Mass2718.69
IUPAC Nameethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)
SMILESC.CCOC(=O)COc1nccc2c1c(C(=O)C(N)=O)c(CC)n2Cc1ccccc1-c1ccccc1.CCOC(=O)COc1nccc2c1cc(CC)n2Cc1ccccc1-c1ccccc1.CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)nccc2n1Cc1ccccc1-c1ccccc1.CCc1cc2c(=O)[nH]ccc2n1Cc1ccccc1-c1ccccc1.CCc1ccc(/C=C/C(=O)N=[N+]=[N-])n1Cc1ccccc1-c1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Rh].[Rh]
InChIInChI=1S/C28H27N3O5.C26H23N3O5.C26H26N2O3.C22H20N4O.C22H20N2O.4C2HF3O2.CH4.2Rh/c1-3-21-24(26(33)27(29)34)25-22(14-15-30-28(25)36-17-23(32)35-4-2)31(21)16-19-12-8-9-13-20(19)18-10-6-5-7-11-18;1-2-19-22(24(32)25(27)33)23-20(12-13-28-26(23)34-15-21(30)31)29(19)14-17-10-6-7-11-18(17)16-8-4-3-5-9-16;1-3-21-16-23-24(14-15-27-26(23)31-18-25(29)30-4-2)28(21)17-20-12-8-9-13-22(20)19-10-6-5-7-11-19;1-2-19-12-13-20(14-15-22(27)24-25-23)26(19)16-18-10-6-7-11-21(18)17-8-4-3-5-9-17;1-2-18-14-20-21(12-13-23-22(20)25)24(18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16;4*3-2(4,5)1(6)7;;;/h5-15H,3-4,16-17H2,1-2H3,(H2,29,34);3-13H,2,14-15H2,1H3,(H2,27,33)(H,30,31);5-16H,3-4,17-18H2,1-2H3;3-15H,2,16H2,1H3;3-14H,2,15H2,1H3,(H,23,25);4*(H,6,7);1H4;;/b;;;15-14+;;;;;;;;
InChIKeyDIAKBXLOFNSYLY-WRMSFARBSA-N
XLogP26.01
TPSA549.12 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds37
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002720.32
LogP ≤ 526.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)?
The IUPAC name of ethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid) (CID 160901167) is ethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for ethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for ethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid) is C.CCOC(=O)COc1nccc2c1c(C(=O)C(N)=O)c(CC)n2Cc1ccccc1-c1ccccc1.CCOC(=O)COc1nccc2c1cc(CC)n2Cc1ccccc1-c1ccccc1.CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)nccc2n1Cc1ccccc1-c1ccccc1.CCc1cc2c(=O)[nH]ccc2n1Cc1ccccc1-c1ccccc1.CCc1ccc(/C=C/C(=O)N=[N+]=[N-])n1Cc1ccccc1-c1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Rh].[Rh].
What is the InChIKey of ethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)?
The InChIKey is DIAKBXLOFNSYLY-WRMSFARBSA-N. The full InChI is InChI=1S/C28H27N3O5.C26H23N3O5.C26H26N2O3.C22H20N4O.C22H20N2O.4C2HF3O2.CH4.2Rh/c1-3-21-24(26(33)27(29)34)25-22(14-15-30-28(25)36-17-23(32)35-4-2)31(21)16-19-12-8-9-13-20(19)18-10-6-5-7-11-18;1-2-19-22(24(32)25(27)33)23-20(12-13-28-26(23)34-15-21(30)31)29(19)14-17-10-6-7-11-18(17)16-8-4-3-5-9-16;1-3-21-16-23-24(14-15-27-26(23)31-18-25(29)30-4-2)28(21)17-20-12-8-9-13-22(20)19-10-6-5-7-11-19;1-2-19-12-13-20(14-15-22(27)24-25-23)26(19)16-18-10-6-7-11-21(18)17-8-4-3-5-9-17;1-2-18-14-20-21(12-13-23-22(20)25)24(18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16;4*3-2(4,5)1(6)7;;;/h5-15H,3-4,16-17H2,1-2H3,(H2,29,34);3-13H,2,14-15H2,1H3,(H2,27,33)(H,30,31);5-16H,3-4,17-18H2,1-2H3;3-15H,2,16H2,1H3;3-14H,2,15H2,1H3,(H,23,25);4*(H,6,7);1H4;;/b;;;15-14+;;;;;;;;.
What are the key properties of ethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)?
ethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2720.32 g/mol, XLogP of 26.01, 37 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-[2-ethyl-3-oxamoyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetic acid;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 160901167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).