2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-ethyl-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoyl azide;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-ethylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)

C103H104F12N14O23Rh2 — CID 160516681

IUPAC2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-ethyl-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoyl azide;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-ethylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)
SMILESC.CCOC(=O)COc1nccc2c1c(C(=O)C(N)=O)c(CC)n2Cc1ccccc1.CCOC(=O)COc1nccc2c1cc(CC)n2Cc1ccccc1.CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)nccc2n1Cc1ccccc1.CCc1cc2c(=O)[nH]ccc2n1Cc1ccccc1.CCc1ccc(/C=C/C(=O)N=[N+]=[N-])n1Cc1ccccc1.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/C22H23N3O5.C20H19N3O5.C20H22N2O3.C16H16N4O.C16H16N2O.4C2HF3O2.CH4.2Rh/c1-3-15-18(20(27)21(23)28)19-16(25(15)12-14-8-6-5-7-9-14)10-11-24-22(19)30-13-17(26)29-4-2;1-2-13-16(18(26)19(21)27)17-14(8-9-22-20(17)28-11-15(24)25)23(13)10-12-6-4-3-5-7-12;1-3-16-12-17-18(22(16)13-15-8-6-5-7-9-15)10-11-21-20(17)25-14-19(23)24-4-2;1-2-14-8-9-15(10-11-16(21)18-19-17)20(14)12-13-6-4-3-5-7-13;1-2-13-10-14-15(8-9-17-16(14)19)18(13)11-12-6-4-3-5-7-12;4*3-2(4,5)1(6)7;;;/h5-11H,3-4,12-13H2,1-2H3,(H2,23,28);3-9H,2,10-11H2,1H3,(H2,21,27)(H,24,25);5-12H,3-4,13-14H2,1-2H3;3-11H,2,12H2,1H3;3-10H,2,11H2,1H3,(H,17,19);4*(H,6,7);1H4;;/b;;;11-10+;;;;;;;;
InChIKeyIHJVBTDZSMXAMK-RKKBUSHNSA-N
MW2339.83 g/mol
LogP17.68
Rot. Bonds32

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

2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-ethyl-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoyl azide;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-ethylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid) (PubChem CID 160516681) has the molecular formula C103H104F12N14O23Rh2 and a molecular weight of 2339.83 g/mol. Its IUPAC name is 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-ethyl-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoyl azide;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-ethylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-ethyl-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoyl azide;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-ethylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)
PubChem CID160516681
Molecular FormulaC103H104F12N14O23Rh2
Molecular Weight2339.83 g/mol
Exact Mass2338.53
IUPAC Name2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-ethyl-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoyl azide;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-ethylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)
SMILESC.CCOC(=O)COc1nccc2c1c(C(=O)C(N)=O)c(CC)n2Cc1ccccc1.CCOC(=O)COc1nccc2c1cc(CC)n2Cc1ccccc1.CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)nccc2n1Cc1ccccc1.CCc1cc2c(=O)[nH]ccc2n1Cc1ccccc1.CCc1ccc(/C=C/C(=O)N=[N+]=[N-])n1Cc1ccccc1.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/C22H23N3O5.C20H19N3O5.C20H22N2O3.C16H16N4O.C16H16N2O.4C2HF3O2.CH4.2Rh/c1-3-15-18(20(27)21(23)28)19-16(25(15)12-14-8-6-5-7-9-14)10-11-24-22(19)30-13-17(26)29-4-2;1-2-13-16(18(26)19(21)27)17-14(8-9-22-20(17)28-11-15(24)25)23(13)10-12-6-4-3-5-7-12;1-3-16-12-17-18(22(16)13-15-8-6-5-7-9-15)10-11-21-20(17)25-14-19(23)24-4-2;1-2-14-8-9-15(10-11-16(21)18-19-17)20(14)12-13-6-4-3-5-7-13;1-2-13-10-14-15(8-9-17-16(14)19)18(13)11-12-6-4-3-5-7-12;4*3-2(4,5)1(6)7;;;/h5-11H,3-4,12-13H2,1-2H3,(H2,23,28);3-9H,2,10-11H2,1H3,(H2,21,27)(H,24,25);5-12H,3-4,13-14H2,1-2H3;3-11H,2,12H2,1H3;3-10H,2,11H2,1H3,(H,17,19);4*(H,6,7);1H4;;/b;;;11-10+;;;;;;;;
InChIKeyIHJVBTDZSMXAMK-RKKBUSHNSA-N
XLogP17.68
TPSA549.12 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002339.83
LogP ≤ 517.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'pyrrole_N(1)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-ethyl-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoyl azide;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-ethylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-ethyl-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoyl azide;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-ethylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid) (CID 160516681) is 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-ethyl-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoyl azide;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-ethylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-ethyl-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoyl azide;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-ethylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-ethyl-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoyl azide;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-ethylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid) is C.CCOC(=O)COc1nccc2c1c(C(=O)C(N)=O)c(CC)n2Cc1ccccc1.CCOC(=O)COc1nccc2c1cc(CC)n2Cc1ccccc1.CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)nccc2n1Cc1ccccc1.CCc1cc2c(=O)[nH]ccc2n1Cc1ccccc1.CCc1ccc(/C=C/C(=O)N=[N+]=[N-])n1Cc1ccccc1.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 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-ethyl-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoyl azide;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-ethylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)?
The InChIKey is IHJVBTDZSMXAMK-RKKBUSHNSA-N. The full InChI is InChI=1S/C22H23N3O5.C20H19N3O5.C20H22N2O3.C16H16N4O.C16H16N2O.4C2HF3O2.CH4.2Rh/c1-3-15-18(20(27)21(23)28)19-16(25(15)12-14-8-6-5-7-9-14)10-11-24-22(19)30-13-17(26)29-4-2;1-2-13-16(18(26)19(21)27)17-14(8-9-22-20(17)28-11-15(24)25)23(13)10-12-6-4-3-5-7-12;1-3-16-12-17-18(22(16)13-15-8-6-5-7-9-15)10-11-21-20(17)25-14-19(23)24-4-2;1-2-14-8-9-15(10-11-16(21)18-19-17)20(14)12-13-6-4-3-5-7-13;1-2-13-10-14-15(8-9-17-16(14)19)18(13)11-12-6-4-3-5-7-12;4*3-2(4,5)1(6)7;;;/h5-11H,3-4,12-13H2,1-2H3,(H2,23,28);3-9H,2,10-11H2,1H3,(H2,21,27)(H,24,25);5-12H,3-4,13-14H2,1-2H3;3-11H,2,12H2,1H3;3-10H,2,11H2,1H3,(H,17,19);4*(H,6,7);1H4;;/b;;;11-10+;;;;;;;;.
What are the key properties of 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-ethyl-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoyl azide;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-ethylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid)?
2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-ethyl-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoyl azide;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-ethylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2339.83 g/mol, XLogP of 17.68, 32 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-ethyl-5H-pyrrolo[3,2-c]pyridin-4-one;(E)-3-(1-benzyl-5-ethylpyrrol-2-yl)prop-2-enoyl azide;ethyl 2-(1-benzyl-2-ethyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-ethylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;methane;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 160516681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).