sodium;1,4-dimethyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;ethyl 3-amino-1,2-oxazole-5-carboxylate;ethyl 3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylate;3-(isoquinoline-3-carbonylamino)-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylic acid;isoquinoline-3-carboxylic acid;1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydroxide

C114H120N27NaO28 — CID 159920313

About sodium;1,4-dimethyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;ethyl 3-amino-1,2-oxazole-5-carboxylate;ethyl 3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylate;3-(isoquinoline-3-carbonylamino)-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylic acid;isoquinoline-3-carboxylic acid;1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydroxide

sodium;1,4-dimethyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;ethyl 3-amino-1,2-oxazole-5-carboxylate;ethyl 3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylate;3-(isoquinoline-3-carbonylamino)-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylic acid;isoquinoline-3-carboxylic acid;1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydroxide (PubChem CID 159920313) has the molecular formula C114H120N27NaO28 and a molecular weight of 2339.36 g/mol. Its IUPAC name is sodium;1,4-dimethyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;ethyl 3-amino-1,2-oxazole-5-carboxylate;ethyl 3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylate;3-(isoquinoline-3-carbonylamino)-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylic acid;isoquinoline-3-carboxylic acid;1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;1,4-dimethyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;ethyl 3-amino-1,2-oxazole-5-carboxylate;ethyl 3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylate;3-(isoquinoline-3-carbonylamino)-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylic acid;isoquinoline-3-carboxylic acid;1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydroxide
• PubChem CID: 159920313
• Molecular Formula: C114H120N27NaO28
• Molecular Weight: 2339.36 g/mol
• Exact Mass: 2337.87
• IUPAC Name: sodium;1,4-dimethyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;ethyl 3-amino-1,2-oxazole-5-carboxylate;ethyl 3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylate;3-(isoquinoline-3-carbonylamino)-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylic acid;isoquinoline-3-carboxylic acid;1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydroxide
• SMILES: CCOC(=O)c1cc(N)no1.CCOC(=O)c1cc(NC(=O)c2cc3ccccc3cn2)no1.Cc1cc(C(=O)Nc2cc(C(=O)NCCN3CCOCC3)n(C)c2)n(C)c1.Cn1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)cc1C(=O)O.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)no3)cn2C)cc1C(=O)NCCN1CCOCC1.O=C(Nc1cc(C(=O)O)on1)c1cc2ccccc2cn1.O=C(O)c1cc2ccccc2cn1.[Na+].[OH-]
• InChI: InChI=1S/C32H33N9O6.C19H27N5O3.C17H22N4O5.C16H13N3O4.C14H9N3O4.C10H7NO2.C6H8N2O3.Na.H2O/c1-39-18-22(14-25(39)30(43)33-7-8-41-9-11-46-12-10-41)35-31(44)26-15-23(19-40(26)2)36-32(45)27-16-28(38-47-27)37-29(42)24-13-20-5-3-4-6-21(20)17-34-24;1-14-10-16(22(2)12-14)19(26)21-15-11-17(23(3)13-15)18(25)20-4-5-24-6-8-27-9-7-24;1-17(2,3)26-16(25)19-11-6-12(20(4)9-11)14(22)18-10-7-13(15(23)24)21(5)8-10;1-2-22-16(21)13-8-14(19-23-13)18-15(20)12-7-10-5-3-4-6-11(10)9-17-12;18-13(16-12-6-11(14(19)20)21-17-12)10-5-8-3-1-2-4-9(8)7-15-10;12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;1-2-10-6(9)4-3-5(7)8-11-4;;/h3-6,13-19H,7-12H2,1-2H3,(H,33,43)(H,35,44)(H,36,45)(H,37,38,42);10-13H,4-9H2,1-3H3,(H,20,25)(H,21,26);6-9H,1-5H3,(H,18,22)(H,19,25)(H,23,24);3-9H,2H2,1H3,(H,18,19,20);1-7H,(H,19,20)(H,16,17,18);1-6H,(H,12,13);3H,2H2,1H3,(H2,7,8);;1H2/q;;;;;;;+1;/p-1
• InChIKey: NYHRVDJCQGRXAW-UHFFFAOYSA-M
• XLogP: 10.38
• TPSA: 730.95 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 42
• Rotatable Bonds: 30
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2339.36
LogP ≤ 5	10.38
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;1,4-dimethyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;ethyl 3-amino-1,2-oxazole-5-carboxylate;ethyl 3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylate;3-(isoquinoline-3-carbonylamino)-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylic acid;isoquinoline-3-carboxylic acid;1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydroxide?

The IUPAC name of sodium;1,4-dimethyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;ethyl 3-amino-1,2-oxazole-5-carboxylate;ethyl 3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylate;3-(isoquinoline-3-carbonylamino)-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylic acid;isoquinoline-3-carboxylic acid;1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydroxide (CID 159920313) is sodium;1,4-dimethyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;ethyl 3-amino-1,2-oxazole-5-carboxylate;ethyl 3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylate;3-(isoquinoline-3-carbonylamino)-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylic acid;isoquinoline-3-carboxylic acid;1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydroxide.

What is the SMILES notation for sodium;1,4-dimethyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;ethyl 3-amino-1,2-oxazole-5-carboxylate;ethyl 3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylate;3-(isoquinoline-3-carbonylamino)-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylic acid;isoquinoline-3-carboxylic acid;1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydroxide?

The canonical SMILES for sodium;1,4-dimethyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;ethyl 3-amino-1,2-oxazole-5-carboxylate;ethyl 3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylate;3-(isoquinoline-3-carbonylamino)-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylic acid;isoquinoline-3-carboxylic acid;1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydroxide is CCOC(=O)c1cc(N)no1.CCOC(=O)c1cc(NC(=O)c2cc3ccccc3cn2)no1.Cc1cc(C(=O)Nc2cc(C(=O)NCCN3CCOCC3)n(C)c2)n(C)c1.Cn1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)cc1C(=O)O.Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)no3)cn2C)cc1C(=O)NCCN1CCOCC1.O=C(Nc1cc(C(=O)O)on1)c1cc2ccccc2cn1.O=C(O)c1cc2ccccc2cn1.[Na+].[OH-].

What is the InChIKey of sodium;1,4-dimethyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;ethyl 3-amino-1,2-oxazole-5-carboxylate;ethyl 3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylate;3-(isoquinoline-3-carbonylamino)-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylic acid;isoquinoline-3-carboxylic acid;1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydroxide?

The InChIKey is NYHRVDJCQGRXAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H33N9O6.C19H27N5O3.C17H22N4O5.C16H13N3O4.C14H9N3O4.C10H7NO2.C6H8N2O3.Na.H2O/c1-39-18-22(14-25(39)30(43)33-7-8-41-9-11-46-12-10-41)35-31(44)26-15-23(19-40(26)2)36-32(45)27-16-28(38-47-27)37-29(42)24-13-20-5-3-4-6-21(20)17-34-24;1-14-10-16(22(2)12-14)19(26)21-15-11-17(23(3)13-15)18(25)20-4-5-24-6-8-27-9-7-24;1-17(2,3)26-16(25)19-11-6-12(20(4)9-11)14(22)18-10-7-13(15(23)24)21(5)8-10;1-2-22-16(21)13-8-14(19-23-13)18-15(20)12-7-10-5-3-4-6-11(10)9-17-12;18-13(16-12-6-11(14(19)20)21-17-12)10-5-8-3-1-2-4-9(8)7-15-10;12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;1-2-10-6(9)4-3-5(7)8-11-4;;/h3-6,13-19H,7-12H2,1-2H3,(H,33,43)(H,35,44)(H,36,45)(H,37,38,42);10-13H,4-9H2,1-3H3,(H,20,25)(H,21,26);6-9H,1-5H3,(H,18,22)(H,19,25)(H,23,24);3-9H,2H2,1H3,(H,18,19,20);1-7H,(H,19,20)(H,16,17,18);1-6H,(H,12,13);3H,2H2,1H3,(H2,7,8);;1H2/q;;;;;;;+1;/p-1.

What are the key properties of sodium;1,4-dimethyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;ethyl 3-amino-1,2-oxazole-5-carboxylate;ethyl 3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylate;3-(isoquinoline-3-carbonylamino)-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylic acid;isoquinoline-3-carboxylic acid;1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydroxide?

sodium;1,4-dimethyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;ethyl 3-amino-1,2-oxazole-5-carboxylate;ethyl 3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylate;3-(isoquinoline-3-carbonylamino)-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylic acid;isoquinoline-3-carboxylic acid;1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydroxide has a molecular weight of 2339.36 g/mol, XLogP of 10.38, 30 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;1,4-dimethyl-N-[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]pyrrole-2-carboxamide;ethyl 3-amino-1,2-oxazole-5-carboxylate;ethyl 3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylate;3-(isoquinoline-3-carbonylamino)-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]-1,2-oxazole-5-carboxamide;3-(isoquinoline-3-carbonylamino)-1,2-oxazole-5-carboxylic acid;isoquinoline-3-carboxylic acid;1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylic acid;hydroxide is sourced from PubChem (CID 159920313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).