1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide
C155H210B3BrI9N32O17V-2 — CID 158414851
Data last refreshed: (MolForge compound catalog, from PubChem)
About 1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide
1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide (PubChem CID 158414851) has the molecular formula C155H210B3BrI9N32O17V-2 and a molecular weight of 4099.01 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide.
Molecular Properties
| Compound Name | 1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide |
|---|---|
| PubChem CID | 158414851 |
| Molecular Formula | C155H210B3BrI9N32O17V-2 |
| Molecular Weight | 4099.01 g/mol |
| Exact Mass | 4096.69 |
| IUPAC Name | 1-(5-bromo-3-pyridinyl)-4-methylpentan-2-one;ethane;N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]butanamide;3-methyl-N-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)indazol-5-yl]-3-pyridinyl]butanamide;5-(4-methylpiperazin-1-yl)pyridine-3,4-diamine;molecular iodine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;triiodovanadium;triiodide |
| SMILES | C.C.C.C.CC(C)CC(=O)Cc1cncc(Br)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCN(C)CC6)cncc5[nH]4)c3c2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3c(c2)c(-c2nc4c(N5CCN(C)CC5)cncc4[nH]2)nn3C2CCCCO2)c1.CC(C)CC(=O)Nc1cncc(-c2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.CN1CCN(c2cncc(N)c2N)CC1.II.I[I-]I.I[V](I)I.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12.[CH2-]C |
| InChI | InChI=1S/C33H39N9O2.C28H31N9O.C23H26N4O3.C19H25BN2O4.C13H13IN2O2.C12H24B2O4.C11H14BrNO.C10H17N5.C2H5.4CH4.I3.I2.3HI.V/c1-21(2)14-29(43)36-24-15-23(17-34-18-24)22-7-8-27-25(16-22)31(39-42(27)30-6-4-5-13-44-30)33-37-26-19-35-20-28(32(26)38-33)41-11-9-40(3)10-12-41;1-17(2)10-25(38)31-20-11-19(13-29-14-20)18-4-5-22-21(12-18)26(35-34-22)28-32-23-15-30-16-24(27(23)33-28)37-8-6-36(3)7-9-37;1-15(2)9-22(29)25-18-10-17(12-24-13-18)16-6-7-21-19(11-16)20(14-28)26-27(21)23-5-3-4-8-30-23;1-18(2)19(3,4)26-20(25-18)13-8-9-16-14(11-13)15(12-23)21-22(16)17-7-5-6-10-24-17;14-9-4-5-12-10(7-9)11(8-17)15-16(12)13-3-1-2-6-18-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-8(2)3-11(14)5-9-4-10(12)7-13-6-9;1-14-2-4-15(5-3-14)9-7-13-6-8(11)10(9)12;1-2;;;;;1-3-2;1-2;;;;/h7-8,15-21,30H,4-6,9-14H2,1-3H3,(H,36,43)(H,37,38);4-5,11-17H,6-10H2,1-3H3,(H,31,38)(H,32,33)(H,34,35);6-7,10-15,23H,3-5,8-9H2,1-2H3,(H,25,29);8-9,11-12,17H,5-7,10H2,1-4H3;4-5,7-8,13H,1-3,6H2;1-8H3;4,6-8H,3,5H2,1-2H3;6-7H,2-5,11H2,1H3,(H2,12,13);1H2,2H3;4*1H4;;;3*1H;/q;;;;;;;;-1;;;;;-1;;;;;+3/p-3 |
| InChIKey | ZTUKCXKHLUMYNT-UHFFFAOYSA-K |
| XLogP | 32.20 |
| TPSA | 566.91 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 218 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4099.01 |
| LogP ≤ 5 | 32.20 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 43 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158414851 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.