2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten
C164H189F2N44O8W- — CID 159319241
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten
SMILESCN(C)C=Nc1cccc(C(=O)C/N=C/N(C)C)n1.COc1ccc(CNc2cc(C)c(-n3cnc(C4CC4)c3)cc2C(=O)Nc2cccc(-c3nncn3C3CCCCC3)n2)cc1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C3CCCCC3)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)O)cc1-n1cnc(C2CC2)c1.Cc1cc(N)c(C(=O)Nc2cccc(-c3nncn3C3CCCCC3)n2)cc1-n1cnc(C2CC2)c1.Cc1cc2ncn(-c3cccc(-c4nncn4C4CCCCC4)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.NC1CCCCC1.Nc1cccc(-c2nncn2C2CCCCC2)n1.[CH3-].[W]
InChIInChI=1S/C35H38N8O2.C28H28N8O.C27H28FN7O.C27H30N8O.C14H13FN2O2.C13H19N5O.C13H17N5.C6H13N.CH3.W/c1-23-17-30(36-19-24-11-15-27(45-2)16-12-24)28(18-32(23)42-20-31(37-21-42)25-13-14-25)35(44)40-33-10-6-9-29(39-33)34-41-38-22-43(34)26-7-4-3-5-8-26;1-18-12-23-21(13-25(18)34-14-24(29-15-34)19-10-11-19)28(37)36(16-30-23)26-9-5-8-22(32-26)27-33-31-17-35(27)20-6-3-2-4-7-20;2*1-17-12-21(28)20(13-24(17)34-14-23(29-15-34)18-10-11-18)27(36)32-25-9-5-8-22(31-25)26-33-30-16-35(26)19-6-3-2-4-7-19;1-8-4-11(15)10(14(18)19)5-13(8)17-6-12(16-7-17)9-2-3-9;1-17(2)9-14-8-12(19)11-6-5-7-13(16-11)15-10-18(3)4;14-12-8-4-7-11(16-12)13-17-15-9-18(13)10-5-2-1-3-6-10;7-6-4-2-1-3-5-6;;/h6,9-12,15-18,20-22,25-26,36H,3-5,7-8,13-14,19H2,1-2H3,(H,39,40,44);5,8-9,12-17,19-20H,2-4,6-7,10-11H2,1H3;5,8-9,12-16,18-19H,2-4,6-7,10-11H2,1H3,(H,31,32,36);5,8-9,12-16,18-19H,2-4,6-7,10-11,28H2,1H3,(H,31,32,36);4-7,9H,2-3H2,1H3,(H,18,19);5-7,9-10H,8H2,1-4H3;4,7-10H,1-3,5-6H2,(H2,14,16);6H,1-5,7H2;1H3;/q;;;;;;;;-1;/b;;;;;14-9+,15-10?;;;;
InChIKeyNJMJVZAHSYOISB-HCEJSONVSA-N
MW3126.45 g/mol
LogP30.79
Rot. Bonds38
About 2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten
2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten (PubChem CID 159319241) has the molecular formula C164H189F2N44O8W- and a molecular weight of 3126.45 g/mol. Its IUPAC name is 2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten.
Molecular Properties
| Compound Name | 2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten |
|---|---|
| PubChem CID | 159319241 |
| Molecular Formula | C164H189F2N44O8W- |
| Molecular Weight | 3126.45 g/mol |
| Exact Mass | 3124.52 |
| IUPAC Name | 2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten |
| SMILES | CN(C)C=Nc1cccc(C(=O)C/N=C/N(C)C)n1.COc1ccc(CNc2cc(C)c(-n3cnc(C4CC4)c3)cc2C(=O)Nc2cccc(-c3nncn3C3CCCCC3)n2)cc1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C3CCCCC3)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)O)cc1-n1cnc(C2CC2)c1.Cc1cc(N)c(C(=O)Nc2cccc(-c3nncn3C3CCCCC3)n2)cc1-n1cnc(C2CC2)c1.Cc1cc2ncn(-c3cccc(-c4nncn4C4CCCCC4)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.NC1CCCCC1.Nc1cccc(-c2nncn2C2CCCCC2)n1.[CH3-].[W] |
| InChI | InChI=1S/C35H38N8O2.C28H28N8O.C27H28FN7O.C27H30N8O.C14H13FN2O2.C13H19N5O.C13H17N5.C6H13N.CH3.W/c1-23-17-30(36-19-24-11-15-27(45-2)16-12-24)28(18-32(23)42-20-31(37-21-42)25-13-14-25)35(44)40-33-10-6-9-29(39-33)34-41-38-22-43(34)26-7-4-3-5-8-26;1-18-12-23-21(13-25(18)34-14-24(29-15-34)19-10-11-19)28(37)36(16-30-23)26-9-5-8-22(32-26)27-33-31-17-35(27)20-6-3-2-4-7-20;2*1-17-12-21(28)20(13-24(17)34-14-23(29-15-34)18-10-11-18)27(36)32-25-9-5-8-22(31-25)26-33-30-16-35(26)19-6-3-2-4-7-19;1-8-4-11(15)10(14(18)19)5-13(8)17-6-12(16-7-17)9-2-3-9;1-17(2)9-14-8-12(19)11-6-5-7-13(16-11)15-10-18(3)4;14-12-8-4-7-11(16-12)13-17-15-9-18(13)10-5-2-1-3-6-10;7-6-4-2-1-3-5-6;;/h6,9-12,15-18,20-22,25-26,36H,3-5,7-8,13-14,19H2,1-2H3,(H,39,40,44);5,8-9,12-17,19-20H,2-4,6-7,10-11H2,1H3;5,8-9,12-16,18-19H,2-4,6-7,10-11H2,1H3,(H,31,32,36);5,8-9,12-16,18-19H,2-4,6-7,10-11,28H2,1H3,(H,31,32,36);4-7,9H,2-3H2,1H3,(H,18,19);5-7,9-10H,8H2,1-4H3;4,7-10H,1-3,5-6H2,(H2,14,16);6H,1-5,7H2;1H3;/q;;;;;;;;-1;/b;;;;;14-9+,15-10?;;;; |
| InChIKey | NJMJVZAHSYOISB-HCEJSONVSA-N |
| XLogP | 30.79 |
| TPSA | 627.07 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 219 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3126.45 |
| LogP ≤ 5 | 30.79 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 46 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten?
The IUPAC name of 2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten (CID 159319241) is 2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten.
What is the SMILES notation for 2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten?
The canonical SMILES for 2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten is CN(C)C=Nc1cccc(C(=O)C/N=C/N(C)C)n1.COc1ccc(CNc2cc(C)c(-n3cnc(C4CC4)c3)cc2C(=O)Nc2cccc(-c3nncn3C3CCCCC3)n2)cc1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C3CCCCC3)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)O)cc1-n1cnc(C2CC2)c1.Cc1cc(N)c(C(=O)Nc2cccc(-c3nncn3C3CCCCC3)n2)cc1-n1cnc(C2CC2)c1.Cc1cc2ncn(-c3cccc(-c4nncn4C4CCCCC4)n3)c(=O)c2cc1-n1cnc(C2CC2)c1.NC1CCCCC1.Nc1cccc(-c2nncn2C2CCCCC2)n1.[CH3-].[W].
What is the InChIKey of 2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten?
The InChIKey is NJMJVZAHSYOISB-HCEJSONVSA-N. The full InChI is InChI=1S/C35H38N8O2.C28H28N8O.C27H28FN7O.C27H30N8O.C14H13FN2O2.C13H19N5O.C13H17N5.C6H13N.CH3.W/c1-23-17-30(36-19-24-11-15-27(45-2)16-12-24)28(18-32(23)42-20-31(37-21-42)25-13-14-25)35(44)40-33-10-6-9-29(39-33)34-41-38-22-43(34)26-7-4-3-5-8-26;1-18-12-23-21(13-25(18)34-14-24(29-15-34)19-10-11-19)28(37)36(16-30-23)26-9-5-8-22(32-26)27-33-31-17-35(27)20-6-3-2-4-7-20;2*1-17-12-21(28)20(13-24(17)34-14-23(29-15-34)18-10-11-18)27(36)32-25-9-5-8-22(31-25)26-33-30-16-35(26)19-6-3-2-4-7-19;1-8-4-11(15)10(14(18)19)5-13(8)17-6-12(16-7-17)9-2-3-9;1-17(2)9-14-8-12(19)11-6-5-7-13(16-11)15-10-18(3)4;14-12-8-4-7-11(16-12)13-17-15-9-18(13)10-5-2-1-3-6-10;7-6-4-2-1-3-5-6;;/h6,9-12,15-18,20-22,25-26,36H,3-5,7-8,13-14,19H2,1-2H3,(H,39,40,44);5,8-9,12-17,19-20H,2-4,6-7,10-11H2,1H3;5,8-9,12-16,18-19H,2-4,6-7,10-11H2,1H3,(H,31,32,36);5,8-9,12-16,18-19H,2-4,6-7,10-11,28H2,1H3,(H,31,32,36);4-7,9H,2-3H2,1H3,(H,18,19);5-7,9-10H,8H2,1-4H3;4,7-10H,1-3,5-6H2,(H2,14,16);6H,1-5,7H2;1H3;/q;;;;;;;;-1;/b;;;;;14-9+,15-10?;;;;.
What are the key properties of 2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten?
2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten has a molecular weight of 3126.45 g/mol, XLogP of 30.79, 38 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-4-methylbenzamide;carbanide;cyclohexanamine;6-(4-cyclohexyl-1,2,4-triazol-3-yl)pyridin-2-amine;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzamide;N-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(4-cyclopropylimidazol-1-yl)-2-[(4-methoxyphenyl)methylamino]-4-methylbenzamide;3-[6-(4-cyclohexyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(4-cyclopropylimidazol-1-yl)-7-methylquinazolin-4-one;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoic acid;N'-[6-[2-(dimethylaminomethylideneamino)acetyl]-2-pyridinyl]-N,N-dimethylmethanimidamide;tungsten is sourced from PubChem (CID 159319241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159319241 — identifiers, structure, computed properties (public domain)
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