magnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide

C173H251Br2Cu2MgN31O19 — CID 161332303

IUPACmagnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide
SMILESCC#N.CCOC(=O)C(C#N)=C1CCN(C(=O)OC(C)(C)C)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(CO)(C6CCCC6)CC5)cccn4n3)cc2)CC1.O=[Cu].[Br-].[C-]#[N+]C(C(=O)O)C1(C2CCCC2)CCN(C(=O)OC(C)(C)C)CC1.[C-]#[N+]C(C(=O)OCC)C1(C2CCCC2)CCN(C(=O)OC(C)(C)C)CC1.[C-]#[N+]CC1(C2CCCC2)CCCCC1.[C-]#[N+]CC1(C2CCCC2)CCN(C(=O)OC(C)(C)C)CC1.[C-]#[N+]CC1(C2CCCC2)CCN(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.[CH-]1CCCC1.[Cu].[Mg+2]
InChIInChI=1S/C32H42N8O.C31H43N7O2.C20H23BrN6O.C20H32N2O4.C18H28N2O4.C17H28N2O2.C15H22N2O4.C13H21N.C5H9.C2H3N.BrH.2Cu.Mg.O/c1-33-23-32(25-7-4-5-8-25)16-21-39(22-17-32)28-9-6-18-40-29(28)35-31(36-40)34-26-12-10-24(11-13-26)30(41)38(3)27-14-19-37(2)20-15-27;1-35-18-13-26(14-19-35)36(2)29(40)23-9-11-25(12-10-23)32-30-33-28-27(8-5-17-38(28)34-30)37-20-15-31(22-39,16-21-37)24-6-3-4-7-24;1-25-12-9-16(10-13-25)26(2)19(28)14-5-7-15(8-6-14)22-20-23-18-17(21)4-3-11-27(18)24-20;1-6-25-17(23)16(21-5)20(15-9-7-8-10-15)11-13-22(14-12-20)18(24)26-19(2,3)4;1-17(2,3)24-16(23)20-11-9-18(10-12-20,13-7-5-6-8-13)14(19-4)15(21)22;1-16(2,3)21-15(20)19-11-9-17(10-12-19,13-18-4)14-7-5-6-8-14;1-5-20-13(18)12(10-16)11-6-8-17(9-7-11)14(19)21-15(2,3)4;1-14-11-13(9-5-2-6-10-13)12-7-3-4-8-12;1-2-4-5-3-1;1-2-3;;;;;/h6,9-13,18,25,27H,4-5,7-8,14-17,19-23H2,2-3H3,(H,34,36);5,8-12,17,24,26,39H,3-4,6-7,13-16,18-22H2,1-2H3,(H,32,34);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);15-16H,6-14H2,1-4H3;13-14H,5-12H2,1-3H3,(H,21,22);14H,5-13H2,1-3H3;5-9H2,1-4H3;12H,2-11H2;1H,2-5H2;1H3;1H;;;;/q;;;;;;;;-1;;;;;+2;/p-1
InChIKeyZORNARUQSFYYTQ-UHFFFAOYSA-M
MW3380.31 g/mol
LogP30.11
Rot. Bonds31

About magnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide

magnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide (PubChem CID 161332303) has the molecular formula C173H251Br2Cu2MgN31O19 and a molecular weight of 3380.31 g/mol. Its IUPAC name is magnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide.

Molecular Properties

Compound Namemagnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide
PubChem CID161332303
Molecular FormulaC173H251Br2Cu2MgN31O19
Molecular Weight3380.31 g/mol
Exact Mass3374.64
IUPAC Namemagnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide
SMILESCC#N.CCOC(=O)C(C#N)=C1CCN(C(=O)OC(C)(C)C)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(CO)(C6CCCC6)CC5)cccn4n3)cc2)CC1.O=[Cu].[Br-].[C-]#[N+]C(C(=O)O)C1(C2CCCC2)CCN(C(=O)OC(C)(C)C)CC1.[C-]#[N+]C(C(=O)OCC)C1(C2CCCC2)CCN(C(=O)OC(C)(C)C)CC1.[C-]#[N+]CC1(C2CCCC2)CCCCC1.[C-]#[N+]CC1(C2CCCC2)CCN(C(=O)OC(C)(C)C)CC1.[C-]#[N+]CC1(C2CCCC2)CCN(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.[CH-]1CCCC1.[Cu].[Mg+2]
InChIInChI=1S/C32H42N8O.C31H43N7O2.C20H23BrN6O.C20H32N2O4.C18H28N2O4.C17H28N2O2.C15H22N2O4.C13H21N.C5H9.C2H3N.BrH.2Cu.Mg.O/c1-33-23-32(25-7-4-5-8-25)16-21-39(22-17-32)28-9-6-18-40-29(28)35-31(36-40)34-26-12-10-24(11-13-26)30(41)38(3)27-14-19-37(2)20-15-27;1-35-18-13-26(14-19-35)36(2)29(40)23-9-11-25(12-10-23)32-30-33-28-27(8-5-17-38(28)34-30)37-20-15-31(22-39,16-21-37)24-6-3-4-7-24;1-25-12-9-16(10-13-25)26(2)19(28)14-5-7-15(8-6-14)22-20-23-18-17(21)4-3-11-27(18)24-20;1-6-25-17(23)16(21-5)20(15-9-7-8-10-15)11-13-22(14-12-20)18(24)26-19(2,3)4;1-17(2,3)24-16(23)20-11-9-18(10-12-20,13-7-5-6-8-13)14(19-4)15(21)22;1-16(2,3)21-15(20)19-11-9-17(10-12-19,13-18-4)14-7-5-6-8-14;1-5-20-13(18)12(10-16)11-6-8-17(9-7-11)14(19)21-15(2,3)4;1-14-11-13(9-5-2-6-10-13)12-7-3-4-8-12;1-2-4-5-3-1;1-2-3;;;;;/h6,9-13,18,25,27H,4-5,7-8,14-17,19-23H2,2-3H3,(H,34,36);5,8-12,17,24,26,39H,3-4,6-7,13-16,18-22H2,1-2H3,(H,32,34);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);15-16H,6-14H2,1-4H3;13-14H,5-12H2,1-3H3,(H,21,22);14H,5-13H2,1-3H3;5-9H2,1-4H3;12H,2-11H2;1H,2-5H2;1H3;1H;;;;/q;;;;;;;;-1;;;;;+2;/p-1
InChIKeyZORNARUQSFYYTQ-UHFFFAOYSA-M
XLogP30.11
TPSA518.53 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds31
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003380.31
LogP ≤ 530.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze magnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide?
The IUPAC name of magnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide (CID 161332303) is magnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide.
What is the SMILES notation for magnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide?
The canonical SMILES for magnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide is CC#N.CCOC(=O)C(C#N)=C1CCN(C(=O)OC(C)(C)C)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(Br)cccn4n3)cc2)CC1.CN1CCC(N(C)C(=O)c2ccc(Nc3nc4c(N5CCC(CO)(C6CCCC6)CC5)cccn4n3)cc2)CC1.O=[Cu].[Br-].[C-]#[N+]C(C(=O)O)C1(C2CCCC2)CCN(C(=O)OC(C)(C)C)CC1.[C-]#[N+]C(C(=O)OCC)C1(C2CCCC2)CCN(C(=O)OC(C)(C)C)CC1.[C-]#[N+]CC1(C2CCCC2)CCCCC1.[C-]#[N+]CC1(C2CCCC2)CCN(C(=O)OC(C)(C)C)CC1.[C-]#[N+]CC1(C2CCCC2)CCN(c2cccn3nc(Nc4ccc(C(=O)N(C)C5CCN(C)CC5)cc4)nc23)CC1.[CH-]1CCCC1.[Cu].[Mg+2].
What is the InChIKey of magnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide?
The InChIKey is ZORNARUQSFYYTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H42N8O.C31H43N7O2.C20H23BrN6O.C20H32N2O4.C18H28N2O4.C17H28N2O2.C15H22N2O4.C13H21N.C5H9.C2H3N.BrH.2Cu.Mg.O/c1-33-23-32(25-7-4-5-8-25)16-21-39(22-17-32)28-9-6-18-40-29(28)35-31(36-40)34-26-12-10-24(11-13-26)30(41)38(3)27-14-19-37(2)20-15-27;1-35-18-13-26(14-19-35)36(2)29(40)23-9-11-25(12-10-23)32-30-33-28-27(8-5-17-38(28)34-30)37-20-15-31(22-39,16-21-37)24-6-3-4-7-24;1-25-12-9-16(10-13-25)26(2)19(28)14-5-7-15(8-6-14)22-20-23-18-17(21)4-3-11-27(18)24-20;1-6-25-17(23)16(21-5)20(15-9-7-8-10-15)11-13-22(14-12-20)18(24)26-19(2,3)4;1-17(2,3)24-16(23)20-11-9-18(10-12-20,13-7-5-6-8-13)14(19-4)15(21)22;1-16(2,3)21-15(20)19-11-9-17(10-12-19,13-18-4)14-7-5-6-8-14;1-5-20-13(18)12(10-16)11-6-8-17(9-7-11)14(19)21-15(2,3)4;1-14-11-13(9-5-2-6-10-13)12-7-3-4-8-12;1-2-4-5-3-1;1-2-3;;;;;/h6,9-13,18,25,27H,4-5,7-8,14-17,19-23H2,2-3H3,(H,34,36);5,8-12,17,24,26,39H,3-4,6-7,13-16,18-22H2,1-2H3,(H,32,34);3-8,11,16H,9-10,12-13H2,1-2H3,(H,22,24);15-16H,6-14H2,1-4H3;13-14H,5-12H2,1-3H3,(H,21,22);14H,5-13H2,1-3H3;5-9H2,1-4H3;12H,2-11H2;1H,2-5H2;1H3;1H;;;;/q;;;;;;;;-1;;;;;+2;/p-1.
What are the key properties of magnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide?
magnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide has a molecular weight of 3380.31 g/mol, XLogP of 30.11, 31 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;acetonitrile;4-[(8-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(2-ethoxy-1-isocyano-2-oxoethyl)piperidine-1-carboxylate;tert-butyl 4-cyclopentyl-4-(isocyanomethyl)piperidine-1-carboxylate;copper;cyclopentane;4-[[8-[4-cyclopentyl-4-(hydroxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;1-cyclopentyl-1-(isocyanomethyl)cyclohexane;4-[[8-[4-cyclopentyl-4-(isocyanomethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[4-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-isocyanoacetic acid;oxocopper;bromide is sourced from PubChem (CID 161332303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).