azane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate

C82H81F12N11O23Rh2 — CID 162067668

IUPACazane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate
SMILESCCOC(=O)COc1nccc2c1c(C(=O)C(N)=O)c(C)n2Cc1ccccc1.CCOC(=O)COc1nccc2c1cc(C)n2Cc1ccccc1.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)nccc2n1Cc1ccccc1.Cc1cc2c(=O)[nH]ccc2n1Cc1ccccc1.N.O.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/C21H21N3O5.C19H17N3O5.C19H20N2O3.C15H14N2O.4C2HF3O2.H3N.H2O.2Rh/c1-3-28-16(25)12-29-21-18-15(9-10-23-21)24(11-14-7-5-4-6-8-14)13(2)17(18)19(26)20(22)27;1-11-15(17(25)18(20)26)16-13(7-8-21-19(16)27-10-14(23)24)22(11)9-12-5-3-2-4-6-12;1-3-23-18(22)13-24-19-16-11-14(2)21(17(16)9-10-20-19)12-15-7-5-4-6-8-15;1-11-9-13-14(7-8-16-15(13)18)17(11)10-12-5-3-2-4-6-12;4*3-2(4,5)1(6)7;;;;/h4-10H,3,11-12H2,1-2H3,(H2,22,27);2-8H,9-10H2,1H3,(H2,20,26)(H,23,24);4-11H,3,12-13H2,1-2H3;2-9H,10H2,1H3,(H,16,18);4*(H,6,7);1H3;1H2;;
InChIKeyOMTIQGMOWRSTMB-UHFFFAOYSA-N
MW2022.39 g/mol
LogP11.41
Rot. Bonds23

About azane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate

azane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate (PubChem CID 162067668) has the molecular formula C82H81F12N11O23Rh2 and a molecular weight of 2022.39 g/mol. Its IUPAC name is azane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate.

Molecular Properties

Compound Nameazane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate
PubChem CID162067668
Molecular FormulaC82H81F12N11O23Rh2
Molecular Weight2022.39 g/mol
Exact Mass2021.34
IUPAC Nameazane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate
SMILESCCOC(=O)COc1nccc2c1c(C(=O)C(N)=O)c(C)n2Cc1ccccc1.CCOC(=O)COc1nccc2c1cc(C)n2Cc1ccccc1.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)nccc2n1Cc1ccccc1.Cc1cc2c(=O)[nH]ccc2n1Cc1ccccc1.N.O.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/C21H21N3O5.C19H17N3O5.C19H20N2O3.C15H14N2O.4C2HF3O2.H3N.H2O.2Rh/c1-3-28-16(25)12-29-21-18-15(9-10-23-21)24(11-14-7-5-4-6-8-14)13(2)17(18)19(26)20(22)27;1-11-15(17(25)18(20)26)16-13(7-8-21-19(16)27-10-14(23)24)22(11)9-12-5-3-2-4-6-12;1-3-23-18(22)13-24-19-16-11-14(2)21(17(16)9-10-20-19)12-15-7-5-4-6-8-15;1-11-9-13-14(7-8-16-15(13)18)17(11)10-12-5-3-2-4-6-12;4*3-2(4,5)1(6)7;;;;/h4-10H,3,11-12H2,1-2H3,(H2,22,27);2-8H,9-10H2,1H3,(H2,20,26)(H,23,24);4-11H,3,12-13H2,1-2H3;2-9H,10H2,1H3,(H,16,18);4*(H,6,7);1H3;1H2;;
InChIKeyOMTIQGMOWRSTMB-UHFFFAOYSA-N
XLogP11.41
TPSA544.86 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002022.39
LogP ≤ 511.41
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze azane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate with MolForge

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Frequently Asked Questions

What is the IUPAC name of azane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate?
The IUPAC name of azane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate (CID 162067668) is azane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate.
What is the SMILES notation for azane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate?
The canonical SMILES for azane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate is CCOC(=O)COc1nccc2c1c(C(=O)C(N)=O)c(C)n2Cc1ccccc1.CCOC(=O)COc1nccc2c1cc(C)n2Cc1ccccc1.Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)nccc2n1Cc1ccccc1.Cc1cc2c(=O)[nH]ccc2n1Cc1ccccc1.N.O.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 azane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate?
The InChIKey is OMTIQGMOWRSTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5.C19H17N3O5.C19H20N2O3.C15H14N2O.4C2HF3O2.H3N.H2O.2Rh/c1-3-28-16(25)12-29-21-18-15(9-10-23-21)24(11-14-7-5-4-6-8-14)13(2)17(18)19(26)20(22)27;1-11-15(17(25)18(20)26)16-13(7-8-21-19(16)27-10-14(23)24)22(11)9-12-5-3-2-4-6-12;1-3-23-18(22)13-24-19-16-11-14(2)21(17(16)9-10-20-19)12-15-7-5-4-6-8-15;1-11-9-13-14(7-8-16-15(13)18)17(11)10-12-5-3-2-4-6-12;4*3-2(4,5)1(6)7;;;;/h4-10H,3,11-12H2,1-2H3,(H2,22,27);2-8H,9-10H2,1H3,(H2,20,26)(H,23,24);4-11H,3,12-13H2,1-2H3;2-9H,10H2,1H3,(H,16,18);4*(H,6,7);1H3;1H2;;.
What are the key properties of azane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate?
azane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate has a molecular weight of 2022.39 g/mol, XLogP of 11.41, 23 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetic acid;1-benzyl-2-methyl-5H-pyrrolo[3,2-c]pyridin-4-one;ethyl 2-(1-benzyl-2-methyl-3-oxamoylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;ethyl 2-(1-benzyl-2-methylpyrrolo[3,2-c]pyridin-4-yl)oxyacetate;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);hydrate is sourced from PubChem (CID 162067668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).