5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride

C77H86ClF9N30O7 — CID 160529594

IUPAC5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride
SMILESC/C(=N\CC(N)=O)c1cc(C#N)c[nH]1.CC(=O)c1cc(C#N)c[nH]1.C[C@@H]1CN(Cc2cn[nH]c2-c2cc(C#N)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1.C[C@@H]1CN(Cc2cn[nH]c2-c2cc(C(N)=O)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1.C[C@@H]1CNCCN1c1ccc(C(F)(F)F)cn1.Cl.NNC(N)=O.OO.[C-]#[N+]c1c[nH]c(-c2[nH]ncc2C=O)c1
InChIInChI=1S/C20H22F3N7O.C20H20F3N7.C11H14F3N3.C9H6N4O.C9H10N4O.C7H6N2O.CH5N3O.ClH.H2O2/c1-12-10-29(4-5-30(12)17-3-2-15(9-26-17)20(21,22)23)11-14-8-27-28-18(14)16-6-13(7-25-16)19(24)31;1-13-11-29(4-5-30(13)18-3-2-16(10-26-18)20(21,22)23)12-15-9-27-28-19(15)17-6-14(7-24)8-25-17;1-8-6-15-4-5-17(8)10-3-2-9(7-16-10)11(12,13)14;1-10-7-2-8(11-4-7)9-6(5-14)3-12-13-9;1-6(12-5-9(11)14)8-2-7(3-10)4-13-8;1-5(10)7-2-6(3-8)4-9-7;2-1(5)4-3;;1-2/h2-3,6-9,12,25H,4-5,10-11H2,1H3,(H2,24,31)(H,27,28);2-3,6,8-10,13,25H,4-5,11-12H2,1H3,(H,27,28);2-3,7-8,15H,4-6H2,1H3;2-5,11H,(H,12,13);2,4,13H,5H2,1H3,(H2,11,14);2,4,9H,1H3;3H2,(H3,2,4,5);1H;1-2H/b;;;;12-6+;;;;/t12-;13-;8-;;;;;;/m111....../s1
InChIKeyQMPJVUXRJKDOFN-HHHWOXPESA-N
MW1750.17 g/mol
LogP9.93
Rot. Bonds16

About 5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride

5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride (PubChem CID 160529594) has the molecular formula C77H86ClF9N30O7 and a molecular weight of 1750.17 g/mol. Its IUPAC name is 5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride
PubChem CID160529594
Molecular FormulaC77H86ClF9N30O7
Molecular Weight1750.17 g/mol
Exact Mass1748.68
IUPAC Name5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride
SMILESC/C(=N\CC(N)=O)c1cc(C#N)c[nH]1.CC(=O)c1cc(C#N)c[nH]1.C[C@@H]1CN(Cc2cn[nH]c2-c2cc(C#N)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1.C[C@@H]1CN(Cc2cn[nH]c2-c2cc(C(N)=O)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1.C[C@@H]1CNCCN1c1ccc(C(F)(F)F)cn1.Cl.NNC(N)=O.OO.[C-]#[N+]c1c[nH]c(-c2[nH]ncc2C=O)c1
InChIInChI=1S/C20H22F3N7O.C20H20F3N7.C11H14F3N3.C9H6N4O.C9H10N4O.C7H6N2O.CH5N3O.ClH.H2O2/c1-12-10-29(4-5-30(12)17-3-2-15(9-26-17)20(21,22)23)11-14-8-27-28-18(14)16-6-13(7-25-16)19(24)31;1-13-11-29(4-5-30(13)18-3-2-16(10-26-18)20(21,22)23)12-15-9-27-28-19(15)17-6-14(7-24)8-25-17;1-8-6-15-4-5-17(8)10-3-2-9(7-16-10)11(12,13)14;1-10-7-2-8(11-4-7)9-6(5-14)3-12-13-9;1-6(12-5-9(11)14)8-2-7(3-10)4-13-8;1-5(10)7-2-6(3-8)4-9-7;2-1(5)4-3;;1-2/h2-3,6-9,12,25H,4-5,10-11H2,1H3,(H2,24,31)(H,27,28);2-3,6,8-10,13,25H,4-5,11-12H2,1H3,(H,27,28);2-3,7-8,15H,4-6H2,1H3;2-5,11H,(H,12,13);2,4,13H,5H2,1H3,(H2,11,14);2,4,9H,1H3;3H2,(H3,2,4,5);1H;1-2H/b;;;;12-6+;;;;/t12-;13-;8-;;;;;;/m111....../s1
InChIKeyQMPJVUXRJKDOFN-HHHWOXPESA-N
XLogP9.93
TPSA561.90 Ų
H-Bond Donors16
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001750.17
LogP ≤ 59.93
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

fluoroform;guanidine;hydrazine;2-methylpropanal;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide
CID 143872863
aminourea;1-(5-isocyano-1H-pyrrol-2-yl)ethanone;2-[1-(5-isocyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;5-(5-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-4-[[5-(5-isocyano-1H-pyrrol-2-yl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;methane;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;N-[5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrol-2-yl]formamide
CID 157410715
imidazolidine-2,4-dione;4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carbaldehyde;(5Z)-5-[[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]methylidene]pyrrolidine-2,4-dione
CID 162228557
1-[4-fluoro-7-(3-methyl-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)piperazin-1-yl]ethane-1,2-dione;1-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)piperazin-1-yl]ethane-1,2-dione
CID 157572317
4-[[(3R,4S)-1-(6-cyanopyridazin-3-yl)-3-methylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(3R,4S)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(1R,5S)-8-[(1E,3Z)-1,4-diamino-4-cyanobuta-1,3-dienyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide;4-[[(3S,4R)-1-[(1E,3Z)-1,4-diamino-4-cyanobuta-1,3-dienyl]-3-fluoropiperidin-4-yl]amino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 158346633
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(6-cyano-3-pyridinyl)-1-methylpyrazole-4-carboxamide;N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2,3-difluorophenyl)-1-methylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-1-methyl-3-phenylpyrazole-4-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-phenylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrazin-2-ylpyrazole-3-carboxamide;N-(4-fluoro-3-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyridin-2-ylpyrazole-3-carboxamide
CID 160220281
2-chloro-5-isocyanopyridine;2-[3-(difluoromethyl)pyrazol-1-yl]-5-ethylpyridine;6-[3-(difluoromethyl)pyrazol-1-yl]pyridine-3-carbonitrile;[6-[3-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]methanamine;6-(3-formylpyrazol-1-yl)pyridine-3-carbonitrile;1H-pyrazole-5-carbaldehyde
CID 160534824

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride (CID 160529594) is 5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride is C/C(=N\CC(N)=O)c1cc(C#N)c[nH]1.CC(=O)c1cc(C#N)c[nH]1.C[C@@H]1CN(Cc2cn[nH]c2-c2cc(C#N)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1.C[C@@H]1CN(Cc2cn[nH]c2-c2cc(C(N)=O)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1.C[C@@H]1CNCCN1c1ccc(C(F)(F)F)cn1.Cl.NNC(N)=O.OO.[C-]#[N+]c1c[nH]c(-c2[nH]ncc2C=O)c1.
What is the InChIKey of 5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride?
The InChIKey is QMPJVUXRJKDOFN-HHHWOXPESA-N. The full InChI is InChI=1S/C20H22F3N7O.C20H20F3N7.C11H14F3N3.C9H6N4O.C9H10N4O.C7H6N2O.CH5N3O.ClH.H2O2/c1-12-10-29(4-5-30(12)17-3-2-15(9-26-17)20(21,22)23)11-14-8-27-28-18(14)16-6-13(7-25-16)19(24)31;1-13-11-29(4-5-30(13)18-3-2-16(10-26-18)20(21,22)23)12-15-9-27-28-19(15)17-6-14(7-24)8-25-17;1-8-6-15-4-5-17(8)10-3-2-9(7-16-10)11(12,13)14;1-10-7-2-8(11-4-7)9-6(5-14)3-12-13-9;1-6(12-5-9(11)14)8-2-7(3-10)4-13-8;1-5(10)7-2-6(3-8)4-9-7;2-1(5)4-3;;1-2/h2-3,6-9,12,25H,4-5,10-11H2,1H3,(H2,24,31)(H,27,28);2-3,6,8-10,13,25H,4-5,11-12H2,1H3,(H,27,28);2-3,7-8,15H,4-6H2,1H3;2-5,11H,(H,12,13);2,4,13H,5H2,1H3,(H2,11,14);2,4,9H,1H3;3H2,(H3,2,4,5);1H;1-2H/b;;;;12-6+;;;;/t12-;13-;8-;;;;;;/m111....../s1.
What are the key properties of 5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride?
5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride has a molecular weight of 1750.17 g/mol, XLogP of 9.93, 16 rotatable bonds, 16 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1H-pyrrole-3-carbonitrile;aminourea;2-[1-(4-cyano-1H-pyrrol-2-yl)ethylideneamino]acetamide;hydrogen peroxide;5-(4-isocyano-1H-pyrrol-2-yl)-1H-pyrazole-4-carbaldehyde;(2R)-2-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carbonitrile;5-[4-[[(3R)-3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-1H-pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 160529594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).