chlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid

C65H86ClN19O19 — CID 162104494

IUPACchlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid
SMILESCCOC(=O)c1nc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)cn1C.CCOC(=O)c1nc(NC(=O)c2cccn2C)cn1C.COC(=O)c1nc(OC(=O)c2cc(NC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cn2C)cn1C.Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)O.[H]/N=N/Cl
InChIInChI=1S/C23H28N6O7.C18H25N5O5.C13H16N4O3.C11H16N2O4.ClHN2/c1-23(2,3)36-22(33)25-14-8-15(27(4)11-14)19(30)24-13-9-16(28(5)10-13)20(31)35-17-12-29(6)18(26-17)21(32)34-7;1-7-27-16(25)14-20-13(10-23(14)6)21-15(24)12-8-11(9-22(12)5)19-17(26)28-18(2,3)4;1-4-20-13(19)11-14-10(8-17(11)3)15-12(18)9-6-5-7-16(9)2;1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7;1-3-2/h8-12H,1-7H3,(H,24,30)(H,25,33);8-10H,7H2,1-6H3,(H,19,26)(H,21,24);5-8H,4H2,1-3H3,(H,15,18);5-6H,1-4H3,(H,12,16)(H,14,15);2H/b;;;;3-2+
InChIKeyZFHZLMIYMDRINE-HSKGZMRHSA-N
MW1472.97 g/mol
LogP9.67
Rot. Bonds17

About chlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid

chlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid (PubChem CID 162104494) has the molecular formula C65H86ClN19O19 and a molecular weight of 1472.97 g/mol. Its IUPAC name is chlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Namechlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid
PubChem CID162104494
Molecular FormulaC65H86ClN19O19
Molecular Weight1472.97 g/mol
Exact Mass1471.60
IUPAC Namechlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid
SMILESCCOC(=O)c1nc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)cn1C.CCOC(=O)c1nc(NC(=O)c2cccn2C)cn1C.COC(=O)c1nc(OC(=O)c2cc(NC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cn2C)cn1C.Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)O.[H]/N=N/Cl
InChIInChI=1S/C23H28N6O7.C18H25N5O5.C13H16N4O3.C11H16N2O4.ClHN2/c1-23(2,3)36-22(33)25-14-8-15(27(4)11-14)19(30)24-13-9-16(28(5)10-13)20(31)35-17-12-29(6)18(26-17)21(32)34-7;1-7-27-16(25)14-20-13(10-23(14)6)21-15(24)12-8-11(9-22(12)5)19-17(26)28-18(2,3)4;1-4-20-13(19)11-14-10(8-17(11)3)15-12(18)9-6-5-7-16(9)2;1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7;1-3-2/h8-12H,1-7H3,(H,24,30)(H,25,33);8-10H,7H2,1-6H3,(H,19,26)(H,21,24);5-8H,4H2,1-3H3,(H,15,18);5-6H,1-4H3,(H,12,16)(H,14,15);2H/b;;;;3-2+
InChIKeyZFHZLMIYMDRINE-HSKGZMRHSA-N
XLogP9.67
TPSA459.11 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds17
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001472.97
LogP ≤ 59.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze chlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid with MolForge

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Related Compounds

Methyl 4-[[4-[[4-[[4-(4-aminobutanoylamino)-1-methyl-imidazole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxylate
CID 15959165
Methyl 4-[[4-[[4-[[4-(4-aminobutanoylamino)-1-methyl-imidazole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-imidazole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxylate
CID 15959166
Methyl 4-[[4-[[4-[[4-(4-aminobutanoylamino)-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-pyrrole-2-carbonyl]amino]-1-methyl-imidazole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxylate
CID 15959168
Methyl 4-[[4-[[4-[[4-(4-aminobutanoylamino)-1-methyl-imidazole-2-carbonyl]amino]-1-methyl-imidazole-2-carbonyl]amino]-1-methyl-imidazole-2-carbonyl]amino]-1-methyl-pyrrole-2-carboxylate
CID 15959170
gamma-but-Im-Py-Py-Im-gamma-but-Py-Py-Im-Py-COOCH3
CID 16186198
gamma-but-Im-Py-Py-Py-gamma-but-Im-Py-Im-Py-COOCH3
CID 16186199
1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)-amino]-1H-imidazole-2-carbonyl}-amino)-1H-imidazole-2-carbonyl]-amino}-1H-pyrrole-2-carboxylic acid methyl ester
CID 20820657
1-Methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]imidazole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylic acid
CID 22345559
4-[[4-[[4-[[4-[4-[[4-[[4-[[4-[[4-(4-Aminobutanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]butanoylamino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]-1-[2-[[2-[3-(dimethylamino)propylamino]-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 53643486
4-[[4-[4-[[4-[[4-[[4-[(4-Acetamido-1-methylimidazole-2-carbonyl)amino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]butanoylamino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
CID 58944531
Methyl 1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate
CID 58945298
4-[[4-[[4-[[4-[4-[[4-[[4-[[4-[[4-(4-aminobutanoylamino)-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]butanoylamino]-1-methylimidazole-2-carbonyl]amino]-1H-pyrrole-2-carbonyl]amino]-1-methylimidazole-2-carbonyl]amino]-1-[2-[[2-[3-(methylamino)propylamino]-2-oxoethyl]amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 59050571

Frequently Asked Questions

What is the IUPAC name of chlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid?
The IUPAC name of chlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid (CID 162104494) is chlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid.
What is the SMILES notation for chlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid?
The canonical SMILES for chlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid is CCOC(=O)c1nc(NC(=O)c2cc(NC(=O)OC(C)(C)C)cn2C)cn1C.CCOC(=O)c1nc(NC(=O)c2cccn2C)cn1C.COC(=O)c1nc(OC(=O)c2cc(NC(=O)c3cc(NC(=O)OC(C)(C)C)cn3C)cn2C)cn1C.Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)O.[H]/N=N/Cl.
What is the InChIKey of chlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid?
The InChIKey is ZFHZLMIYMDRINE-HSKGZMRHSA-N. The full InChI is InChI=1S/C23H28N6O7.C18H25N5O5.C13H16N4O3.C11H16N2O4.ClHN2/c1-23(2,3)36-22(33)25-14-8-15(27(4)11-14)19(30)24-13-9-16(28(5)10-13)20(31)35-17-12-29(6)18(26-17)21(32)34-7;1-7-27-16(25)14-20-13(10-23(14)6)21-15(24)12-8-11(9-22(12)5)19-17(26)28-18(2,3)4;1-4-20-13(19)11-14-10(8-17(11)3)15-12(18)9-6-5-7-16(9)2;1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7;1-3-2/h8-12H,1-7H3,(H,24,30)(H,25,33);8-10H,7H2,1-6H3,(H,19,26)(H,21,24);5-8H,4H2,1-3H3,(H,15,18);5-6H,1-4H3,(H,12,16)(H,14,15);2H/b;;;;3-2+.
What are the key properties of chlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid?
chlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid has a molecular weight of 1472.97 g/mol, XLogP of 9.67, 17 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for chlorodiazene;ethyl 1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazole-2-carboxylate;ethyl 1-methyl-4-[(1-methylpyrrole-2-carbonyl)amino]imidazole-2-carboxylate;methyl 1-methyl-4-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]oxyimidazole-2-carboxylate;1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid is sourced from PubChem (CID 162104494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).