zinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide

C107H131BCl5N39O12S3Si4Zn — CID 158453630

IUPACzinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide
SMILESCC1(C)OB(c2cn[nH]c2)OC1(C)C.CCS(=O)(=O)N1CC(=CC#N)C1.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.Clc1nc(Cl)c2cc[nH]c2n1.[C-]#N.[C-]#N.[C-]#[N+]c1nc(-c2cn[nH]c2)c2ccn(COCC[Si](C)(C)C)c2n1.[C-]#[N+]c1nc(-c2cnn(C3(CC#N)CN(S(=O)(=O)CC)C3)c2)c2cc[nH]c2n1.[C-]#[N+]c1nc(-c2cnn(C3(CC#N)CN(S(=O)(=O)CC)C3)c2)c2ccn(COCC[Si](C)(C)C)c2n1.[Zn+2]
InChIInChI=1S/C23H30N8O3SSi.C17H16N8O2S.C16H20N6OSi.C15H20ClN5OSi.C12H17Cl2N3OSi.C9H15BN2O2.C7H10N2O2S.C6H3Cl2N3.2CN.Zn/c1-6-35(32,33)30-15-23(16-30,8-9-24)31-14-18(13-26-31)20-19-7-10-29(17-34-11-12-36(3,4)5)21(19)28-22(25-2)27-20;1-3-28(26,27)24-10-17(11-24,5-6-18)25-9-12(8-21-25)14-13-4-7-20-15(13)23-16(19-2)22-14;1-17-16-20-14(12-9-18-19-10-12)13-5-6-22(15(13)21-16)11-23-7-8-24(2,3)4;1-23(2,3)7-6-22-10-21-5-4-12-13(11-8-17-18-9-11)19-15(16)20-14(12)21;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;1-2-12(10,11)9-5-7(6-9)3-4-8;7-4-3-1-2-9-5(3)11-6(8)10-4;2*1-2;/h7,10,13-14H,6,8,11-12,15-17H2,1,3-5H3;4,7-9H,3,5,10-11H2,1H3,(H,20,22,23);5-6,9-10H,7-8,11H2,2-4H3,(H,18,19);4-5,8-9H,6-7,10H2,1-3H3,(H,17,18);4-5H,6-8H2,1-3H3;5-6H,1-4H3,(H,11,12);3H,2,5-6H2,1H3;1-2H,(H,9,10,11);;;/q;;;;;;;;2*-1;+2
InChIKeyPSMJFGZHCGRILE-UHFFFAOYSA-N
MW2617.50 g/mol
LogP19.87
Rot. Bonds35

About zinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide

zinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide (PubChem CID 158453630) has the molecular formula C107H131BCl5N39O12S3Si4Zn and a molecular weight of 2617.50 g/mol. Its IUPAC name is zinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide.

Molecular Properties

Compound Namezinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide
PubChem CID158453630
Molecular FormulaC107H131BCl5N39O12S3Si4Zn
Molecular Weight2617.50 g/mol
Exact Mass2611.69
IUPAC Namezinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide
SMILESCC1(C)OB(c2cn[nH]c2)OC1(C)C.CCS(=O)(=O)N1CC(=CC#N)C1.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.Clc1nc(Cl)c2cc[nH]c2n1.[C-]#N.[C-]#N.[C-]#[N+]c1nc(-c2cn[nH]c2)c2ccn(COCC[Si](C)(C)C)c2n1.[C-]#[N+]c1nc(-c2cnn(C3(CC#N)CN(S(=O)(=O)CC)C3)c2)c2cc[nH]c2n1.[C-]#[N+]c1nc(-c2cnn(C3(CC#N)CN(S(=O)(=O)CC)C3)c2)c2ccn(COCC[Si](C)(C)C)c2n1.[Zn+2]
InChIInChI=1S/C23H30N8O3SSi.C17H16N8O2S.C16H20N6OSi.C15H20ClN5OSi.C12H17Cl2N3OSi.C9H15BN2O2.C7H10N2O2S.C6H3Cl2N3.2CN.Zn/c1-6-35(32,33)30-15-23(16-30,8-9-24)31-14-18(13-26-31)20-19-7-10-29(17-34-11-12-36(3,4)5)21(19)28-22(25-2)27-20;1-3-28(26,27)24-10-17(11-24,5-6-18)25-9-12(8-21-25)14-13-4-7-20-15(13)23-16(19-2)22-14;1-17-16-20-14(12-9-18-19-10-12)13-5-6-22(15(13)21-16)11-23-7-8-24(2,3)4;1-23(2,3)7-6-22-10-21-5-4-12-13(11-8-17-18-9-11)19-15(16)20-14(12)21;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;1-2-12(10,11)9-5-7(6-9)3-4-8;7-4-3-1-2-9-5(3)11-6(8)10-4;2*1-2;/h7,10,13-14H,6,8,11-12,15-17H2,1,3-5H3;4,7-9H,3,5,10-11H2,1H3,(H,20,22,23);5-6,9-10H,7-8,11H2,2-4H3,(H,18,19);4-5,8-9H,6-7,10H2,1-3H3,(H,17,18);4-5H,6-8H2,1-3H3;5-6H,1-4H3,(H,11,12);3H,2,5-6H2,1H3;1-2H,(H,9,10,11);;;/q;;;;;;;;2*-1;+2
InChIKeyPSMJFGZHCGRILE-UHFFFAOYSA-N
XLogP19.87
TPSA627.21 Ų
H-Bond Donors5
H-Bond Acceptors40
Rotatable Bonds35
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002617.50
LogP ≤ 519.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze zinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide with MolForge

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Frequently Asked Questions

What is the IUPAC name of zinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide?
The IUPAC name of zinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide (CID 158453630) is zinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide.
What is the SMILES notation for zinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide?
The canonical SMILES for zinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide is CC1(C)OB(c2cn[nH]c2)OC1(C)C.CCS(=O)(=O)N1CC(=CC#N)C1.C[Si](C)(C)CCOCn1ccc2c(-c3cn[nH]c3)nc(Cl)nc21.C[Si](C)(C)CCOCn1ccc2c(Cl)nc(Cl)nc21.Clc1nc(Cl)c2cc[nH]c2n1.[C-]#N.[C-]#N.[C-]#[N+]c1nc(-c2cn[nH]c2)c2ccn(COCC[Si](C)(C)C)c2n1.[C-]#[N+]c1nc(-c2cnn(C3(CC#N)CN(S(=O)(=O)CC)C3)c2)c2cc[nH]c2n1.[C-]#[N+]c1nc(-c2cnn(C3(CC#N)CN(S(=O)(=O)CC)C3)c2)c2ccn(COCC[Si](C)(C)C)c2n1.[Zn+2].
What is the InChIKey of zinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide?
The InChIKey is PSMJFGZHCGRILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O3SSi.C17H16N8O2S.C16H20N6OSi.C15H20ClN5OSi.C12H17Cl2N3OSi.C9H15BN2O2.C7H10N2O2S.C6H3Cl2N3.2CN.Zn/c1-6-35(32,33)30-15-23(16-30,8-9-24)31-14-18(13-26-31)20-19-7-10-29(17-34-11-12-36(3,4)5)21(19)28-22(25-2)27-20;1-3-28(26,27)24-10-17(11-24,5-6-18)25-9-12(8-21-25)14-13-4-7-20-15(13)23-16(19-2)22-14;1-17-16-20-14(12-9-18-19-10-12)13-5-6-22(15(13)21-16)11-23-7-8-24(2,3)4;1-23(2,3)7-6-22-10-21-5-4-12-13(11-8-17-18-9-11)19-15(16)20-14(12)21;1-19(2,3)7-6-18-8-17-5-4-9-10(13)15-12(14)16-11(9)17;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;1-2-12(10,11)9-5-7(6-9)3-4-8;7-4-3-1-2-9-5(3)11-6(8)10-4;2*1-2;/h7,10,13-14H,6,8,11-12,15-17H2,1,3-5H3;4,7-9H,3,5,10-11H2,1H3,(H,20,22,23);5-6,9-10H,7-8,11H2,2-4H3,(H,18,19);4-5,8-9H,6-7,10H2,1-3H3,(H,17,18);4-5H,6-8H2,1-3H3;5-6H,1-4H3,(H,11,12);3H,2,5-6H2,1H3;1-2H,(H,9,10,11);;;/q;;;;;;;;2*-1;+2.
What are the key properties of zinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide?
zinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide has a molecular weight of 2617.50 g/mol, XLogP of 19.87, 35 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-[[2-chloro-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;2,4-dichloro-7H-pyrrolo[2,3-d]pyrimidine;2-[(2,4-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile;2-[1-ethylsulfonyl-3-[4-(2-isocyano-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[1-ethylsulfonyl-3-[4-[2-isocyano-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile;2-[[2-isocyano-4-(1H-pyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;dicyanide is sourced from PubChem (CID 158453630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).