2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride

C94H119BrCl3F6N25O20 — CID 172928138

IUPAC2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride
SMILESC[C@H](N)c1nc(-c2ccnc(COC3CC3)c2)no1.C[C@H](NC(=O)OC(C)(C)C)C(=O)O.C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccnc(COC3CC3)c2)no1.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(COC3CC3)c2)no1.Cl.Cl.Cl.Cn1nc(C(F)(F)F)cc1C(=O)O.N#Cc1ccnc(CBr)c1.N#Cc1ccnc(COC2CC2)c1.N/C(=N\O)c1ccnc(COC2CC2)c1.NO.OC1CC1
InChIInChI=1S/C19H19F3N6O3.C18H24N4O4.C13H16N4O2.C10H13N3O2.C10H10N2O.C8H15NO4.C7H5BrN2.C6H5F3N2O2.C3H6O.3ClH.H3NO/c1-10(24-17(29)14-8-15(19(20,21)22)26-28(14)2)18-25-16(27-31-18)11-5-6-23-12(7-11)9-30-13-3-4-13;1-11(20-17(23)25-18(2,3)4)16-21-15(22-26-16)12-7-8-19-13(9-12)10-24-14-5-6-14;1-8(14)13-16-12(17-19-13)9-4-5-15-10(6-9)7-18-11-2-3-11;11-10(13-14)7-3-4-12-8(5-7)6-15-9-1-2-9;11-6-8-3-4-12-9(5-8)7-13-10-1-2-10;1-5(6(10)11)9-7(12)13-8(2,3)4;8-4-7-3-6(5-9)1-2-10-7;1-11-3(5(12)13)2-4(10-11)6(7,8)9;4-3-1-2-3;;;;1-2/h5-8,10,13H,3-4,9H2,1-2H3,(H,24,29);7-9,11,14H,5-6,10H2,1-4H3,(H,20,23);4-6,8,11H,2-3,7,14H2,1H3;3-5,9,14H,1-2,6H2,(H2,11,13);3-5,10H,1-2,7H2;5H,1-4H3,(H,9,12)(H,10,11);1-3H,4H2;2H,1H3,(H,12,13);3-4H,1-2H2;3*1H;2H,1H2/t10-;11-;8-;;;5-;;;;;;;/m000..0......./s1
InChIKeyVNHAHUDLVQABKQ-GQERYPQNSA-N
MW2219.39 g/mol
LogP15.48
Rot. Bonds29

About 2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride

2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride (PubChem CID 172928138) has the molecular formula C94H119BrCl3F6N25O20 and a molecular weight of 2219.39 g/mol. Its IUPAC name is 2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride.

Molecular Properties

Compound Name2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride
PubChem CID172928138
Molecular FormulaC94H119BrCl3F6N25O20
Molecular Weight2219.39 g/mol
Exact Mass2215.72
IUPAC Name2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride
SMILESC[C@H](N)c1nc(-c2ccnc(COC3CC3)c2)no1.C[C@H](NC(=O)OC(C)(C)C)C(=O)O.C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccnc(COC3CC3)c2)no1.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(COC3CC3)c2)no1.Cl.Cl.Cl.Cn1nc(C(F)(F)F)cc1C(=O)O.N#Cc1ccnc(CBr)c1.N#Cc1ccnc(COC2CC2)c1.N/C(=N\O)c1ccnc(COC2CC2)c1.NO.OC1CC1
InChIInChI=1S/C19H19F3N6O3.C18H24N4O4.C13H16N4O2.C10H13N3O2.C10H10N2O.C8H15NO4.C7H5BrN2.C6H5F3N2O2.C3H6O.3ClH.H3NO/c1-10(24-17(29)14-8-15(19(20,21)22)26-28(14)2)18-25-16(27-31-18)11-5-6-23-12(7-11)9-30-13-3-4-13;1-11(20-17(23)25-18(2,3)4)16-21-15(22-26-16)12-7-8-19-13(9-12)10-24-14-5-6-14;1-8(14)13-16-12(17-19-13)9-4-5-15-10(6-9)7-18-11-2-3-11;11-10(13-14)7-3-4-12-8(5-7)6-15-9-1-2-9;11-6-8-3-4-12-9(5-8)7-13-10-1-2-10;1-5(6(10)11)9-7(12)13-8(2,3)4;8-4-7-3-6(5-9)1-2-10-7;1-11-3(5(12)13)2-4(10-11)6(7,8)9;4-3-1-2-3;;;;1-2/h5-8,10,13H,3-4,9H2,1-2H3,(H,24,29);7-9,11,14H,5-6,10H2,1-4H3,(H,20,23);4-6,8,11H,2-3,7,14H2,1H3;3-5,9,14H,1-2,6H2,(H2,11,13);3-5,10H,1-2,7H2;5H,1-4H3,(H,9,12)(H,10,11);1-3H,4H2;2H,1H3,(H,12,13);3-4H,1-2H2;3*1H;2H,1H2/t10-;11-;8-;;;5-;;;;;;;/m000..0......./s1
InChIKeyVNHAHUDLVQABKQ-GQERYPQNSA-N
XLogP15.48
TPSA654.94 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds29
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002219.39
LogP ≤ 515.48
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride with MolForge

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Related Compounds

2-bromo-4-isocyanopyridine;tert-butyl N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;N'-hydroxy-2-(1-methylcyclopropyl)pyridine-4-carboximidamide;4-isocyano-2-(1-methylcyclopropyl)pyridine;4-isocyano-2-prop-1-en-2-ylpyridine;(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;1-methyl-N-[(1S)-1-[3-[2-(1-methylcyclopropyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;4,4,5,5-tetramethyl-2-prop-1-en-2-yl-1,3,2-dioxaborolane;hydrochloride
CID 167532459
bis(N-[(1S)-1-[3-[2-(bromomethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide);N-[(1S)-1-[3-[2-[(dimethylamino)methyl]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;N-[(1S)-1-[3-[2-(hydroxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;methane;N-methylmethanamine;2-methylpropane;1-methyl-N-[(1S)-1-[3-[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1H-pyrazole
CID 167626311
CID 167665835
CID 167665835
2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(propan-2-yloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;hydroxylamine;N'-hydroxy-2-(propan-2-yloxymethyl)pyridine-4-carboximidamide;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-N-[(1S)-1-[3-[2-(propan-2-yloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-(trifluoromethyl)pyrazole-5-carboxamide;propan-2-ol;2-(propan-2-yloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(propan-2-yloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;dihydrochloride
CID 172932805
4-bromo-2-cyclobutylpyridine;tert-butyl (2S)-2-aminopropanoate;tert-butyl (2S)-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]propanoate;2-cyclobutyl-N'-hydroxypyridine-4-carboximidamide;2-cyclobutyl-4-isocyanopyridine;N-[1-[3-(2-cyclobutyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;1-methyl-N-[(2S)-3-oxobutan-2-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;2,2,2-trifluoroacetaldehyde;dihydrochloride
CID 172964923
tert-butyl N-[(1S)-1-[3-[2-(ethoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;2-(ethoxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(ethoxymethyl)-4-isocyanopyridine;(1S)-1-[3-[2-(ethoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(ethoxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;4-isocyanopyridine;(4-isocyano-2-pyridinyl)methanol;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;dihydrochloride
CID 172966002
azane;1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)pyrazole-3-carboxylic acid;(2S,4R)-N-(6-bromo-2-pyridinyl)-4-fluoropyrrolidine-2-carboxamide;2-[5-ethoxycarbonyl-3-(2-methylpyrimidin-5-yl)pyrazol-1-yl]acetic acid;ethyl 1-[2-[(2S,4R)-2-[2-(6-bromo-2-pyridinyl)acetyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-3-(2-methylpyrimidin-5-yl)pyrazole-4-carboxylate;ethyl 1-[2-[(2S,4R)-2-[(6-bromo-2-pyridinyl)carbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)pyrazole-3-carboxylate;dihydrochloride
CID 159044842
tert-butyl N-(2-chloropyrimidin-5-yl)carbamate;2-chloropyrimidin-5-amine;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-(5-aminopyrimidin-2-yl)-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[4-[5-[(1-cyanocyclopropanecarbonyl)amino]pyrimidin-2-yl]-1-methylpyrazol-5-yl]acetate;[(1R)-1-(2,5-difluoro-3-pyridinyl)ethyl] 2-[1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazol-5-yl]acetate;methyl 1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylate;1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]pyrazole-5-carboxylic acid;hydrochloride
CID 167556222

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride?
The IUPAC name of 2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride (CID 172928138) is 2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride.
What is the SMILES notation for 2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride?
The canonical SMILES for 2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride is C[C@H](N)c1nc(-c2ccnc(COC3CC3)c2)no1.C[C@H](NC(=O)OC(C)(C)C)C(=O)O.C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2ccnc(COC3CC3)c2)no1.C[C@H](NC(=O)c1cc(C(F)(F)F)nn1C)c1nc(-c2ccnc(COC3CC3)c2)no1.Cl.Cl.Cl.Cn1nc(C(F)(F)F)cc1C(=O)O.N#Cc1ccnc(CBr)c1.N#Cc1ccnc(COC2CC2)c1.N/C(=N\O)c1ccnc(COC2CC2)c1.NO.OC1CC1.
What is the InChIKey of 2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride?
The InChIKey is VNHAHUDLVQABKQ-GQERYPQNSA-N. The full InChI is InChI=1S/C19H19F3N6O3.C18H24N4O4.C13H16N4O2.C10H13N3O2.C10H10N2O.C8H15NO4.C7H5BrN2.C6H5F3N2O2.C3H6O.3ClH.H3NO/c1-10(24-17(29)14-8-15(19(20,21)22)26-28(14)2)18-25-16(27-31-18)11-5-6-23-12(7-11)9-30-13-3-4-13;1-11(20-17(23)25-18(2,3)4)16-21-15(22-26-16)12-7-8-19-13(9-12)10-24-14-5-6-14;1-8(14)13-16-12(17-19-13)9-4-5-15-10(6-9)7-18-11-2-3-11;11-10(13-14)7-3-4-12-8(5-7)6-15-9-1-2-9;11-6-8-3-4-12-9(5-8)7-13-10-1-2-10;1-5(6(10)11)9-7(12)13-8(2,3)4;8-4-7-3-6(5-9)1-2-10-7;1-11-3(5(12)13)2-4(10-11)6(7,8)9;4-3-1-2-3;;;;1-2/h5-8,10,13H,3-4,9H2,1-2H3,(H,24,29);7-9,11,14H,5-6,10H2,1-4H3,(H,20,23);4-6,8,11H,2-3,7,14H2,1H3;3-5,9,14H,1-2,6H2,(H2,11,13);3-5,10H,1-2,7H2;5H,1-4H3,(H,9,12)(H,10,11);1-3H,4H2;2H,1H3,(H,12,13);3-4H,1-2H2;3*1H;2H,1H2/t10-;11-;8-;;;5-;;;;;;;/m000..0......./s1.
What are the key properties of 2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride?
2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride has a molecular weight of 2219.39 g/mol, XLogP of 15.48, 29 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)pyridine-4-carbonitrile;tert-butyl N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]carbamate;cyclopropanol;2-(cyclopropyloxymethyl)-N'-hydroxypyridine-4-carboximidamide;2-(cyclopropyloxymethyl)pyridine-4-carbonitrile;(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethanamine;N-[(1S)-1-[3-[2-(cyclopropyloxymethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide;hydroxylamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylic acid;trihydrochloride is sourced from PubChem (CID 172928138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).