5-bromo-N-propan-2-ylpyridin-3-amine;tris(2-ethoxyethyl(trimethyl)silane);iodomethane;2-iodopropane;5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazole-3-carbaldehyde;bis(N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine);4-pyridin-3-ylpyridine-2,3-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;bis(vanadium)

C125H160BBrI2N28O7Si3V2-2 — CID 159597975

About 5-bromo-N-propan-2-ylpyridin-3-amine;tris(2-ethoxyethyl(trimethyl)silane);iodomethane;2-iodopropane;5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazole-3-carbaldehyde;bis(N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine);4-pyridin-3-ylpyridine-2,3-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;bis(vanadium)

5-bromo-N-propan-2-ylpyridin-3-amine;tris(2-ethoxyethyl(trimethyl)silane);iodomethane;2-iodopropane;5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazole-3-carbaldehyde;bis(N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine);4-pyridin-3-ylpyridine-2,3-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;bis(vanadium) (PubChem CID 159597975) has the molecular formula C125H160BBrI2N28O7Si3V2-2 and a molecular weight of 2697.51 g/mol. Its IUPAC name is 5-bromo-N-propan-2-ylpyridin-3-amine;tris(2-ethoxyethyl(trimethyl)silane);iodomethane;2-iodopropane;5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazole-3-carbaldehyde;bis(N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine);4-pyridin-3-ylpyridine-2,3-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;bis(vanadium).

Molecular Properties

• Compound Name: 5-bromo-N-propan-2-ylpyridin-3-amine;tris(2-ethoxyethyl(trimethyl)silane);iodomethane;2-iodopropane;5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazole-3-carbaldehyde;bis(N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine);4-pyridin-3-ylpyridine-2,3-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;bis(vanadium)
• PubChem CID: 159597975
• Molecular Formula: C125H160BBrI2N28O7Si3V2-2
• Molecular Weight: 2697.51 g/mol
• Exact Mass: 2694.86
• IUPAC Name: 5-bromo-N-propan-2-ylpyridin-3-amine;tris(2-ethoxyethyl(trimethyl)silane);iodomethane;2-iodopropane;5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazole-3-carbaldehyde;bis(N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine);4-pyridin-3-ylpyridine-2,3-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;bis(vanadium)
• SMILES: CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccnc6)c5[nH]4)c3c2)c1.CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccnc6)c5[nH]4)c3c2)c1.CC(C)Nc1cncc(-c2ccc3n[nH]c(C=O)c3c2)c1.CC(C)Nc1cncc(Br)c1.CC1(C)OB(c2ccc3n[nH]c(C=O)c3c2)OC1(C)C.CCOCC[Si](C)(C)C.CCOCC[Si](C)(C)C.CCOCC[Si](C)(C)C.C[C-](C)I.Nc1nccc(-c2cccnc2)c1N.[CH2-]I.[V].[V]
• InChI: InChI=1S/2C26H22N8.C16H16N4O.C14H17BN2O3.C10H10N4.C8H11BrN2.3C7H18OSi.C3H6I.CH2I.2V/c2*1-15(2)30-19-10-18(13-28-14-19)16-5-6-22-21(11-16)24(34-33-22)26-31-23-20(7-9-29-25(23)32-26)17-4-3-8-27-12-17;1-10(2)18-13-5-12(7-17-8-13)11-3-4-15-14(6-11)16(9-21)20-19-15;1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(8-18)17-16-11;11-9-8(3-5-14-10(9)12)7-2-1-4-13-6-7;1-6(2)11-8-3-7(9)4-10-5-8;3*1-5-8-6-7-9(2,3)4;1-3(2)4;1-2;;/h2*3-15,30H,1-2H3,(H,33,34)(H,29,31,32);3-10,18H,1-2H3,(H,19,20);5-8H,1-4H3,(H,16,17);1-6H,11H2,(H2,12,14);3-6,11H,1-2H3;3*5-7H2,1-4H3;1-2H3;1H2;;/q;;;;;;;;;2*-1
• InChIKey: KPZLDDGXSQFHGA-UHFFFAOYSA-N
• XLogP: 30.08
• TPSA: 481.43 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 31
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2697.51
LogP ≤ 5	30.08
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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

What is the IUPAC name of 5-bromo-N-propan-2-ylpyridin-3-amine;tris(2-ethoxyethyl(trimethyl)silane);iodomethane;2-iodopropane;5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazole-3-carbaldehyde;bis(N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine);4-pyridin-3-ylpyridine-2,3-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;bis(vanadium)?

The IUPAC name of 5-bromo-N-propan-2-ylpyridin-3-amine;tris(2-ethoxyethyl(trimethyl)silane);iodomethane;2-iodopropane;5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazole-3-carbaldehyde;bis(N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine);4-pyridin-3-ylpyridine-2,3-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;bis(vanadium) (CID 159597975) is 5-bromo-N-propan-2-ylpyridin-3-amine;tris(2-ethoxyethyl(trimethyl)silane);iodomethane;2-iodopropane;5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazole-3-carbaldehyde;bis(N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine);4-pyridin-3-ylpyridine-2,3-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;bis(vanadium).

What is the SMILES notation for 5-bromo-N-propan-2-ylpyridin-3-amine;tris(2-ethoxyethyl(trimethyl)silane);iodomethane;2-iodopropane;5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazole-3-carbaldehyde;bis(N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine);4-pyridin-3-ylpyridine-2,3-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;bis(vanadium)?

The canonical SMILES for 5-bromo-N-propan-2-ylpyridin-3-amine;tris(2-ethoxyethyl(trimethyl)silane);iodomethane;2-iodopropane;5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazole-3-carbaldehyde;bis(N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine);4-pyridin-3-ylpyridine-2,3-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;bis(vanadium) is CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccnc6)c5[nH]4)c3c2)c1.CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5nccc(-c6cccnc6)c5[nH]4)c3c2)c1.CC(C)Nc1cncc(-c2ccc3n[nH]c(C=O)c3c2)c1.CC(C)Nc1cncc(Br)c1.CC1(C)OB(c2ccc3n[nH]c(C=O)c3c2)OC1(C)C.CCOCC[Si](C)(C)C.CCOCC[Si](C)(C)C.CCOCC[Si](C)(C)C.C[C-](C)I.Nc1nccc(-c2cccnc2)c1N.[CH2-]I.[V].[V].

What is the InChIKey of 5-bromo-N-propan-2-ylpyridin-3-amine;tris(2-ethoxyethyl(trimethyl)silane);iodomethane;2-iodopropane;5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazole-3-carbaldehyde;bis(N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine);4-pyridin-3-ylpyridine-2,3-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;bis(vanadium)?

The InChIKey is KPZLDDGXSQFHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H22N8.C16H16N4O.C14H17BN2O3.C10H10N4.C8H11BrN2.3C7H18OSi.C3H6I.CH2I.2V/c2*1-15(2)30-19-10-18(13-28-14-19)16-5-6-22-21(11-16)24(34-33-22)26-31-23-20(7-9-29-25(23)32-26)17-4-3-8-27-12-17;1-10(2)18-13-5-12(7-17-8-13)11-3-4-15-14(6-11)16(9-21)20-19-15;1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(8-18)17-16-11;11-9-8(3-5-14-10(9)12)7-2-1-4-13-6-7;1-6(2)11-8-3-7(9)4-10-5-8;3*1-5-8-6-7-9(2,3)4;1-3(2)4;1-2;;/h2*3-15,30H,1-2H3,(H,33,34)(H,29,31,32);3-10,18H,1-2H3,(H,19,20);5-8H,1-4H3,(H,16,17);1-6H,11H2,(H2,12,14);3-6,11H,1-2H3;3*5-7H2,1-4H3;1-2H3;1H2;;/q;;;;;;;;;2*-1;;.

What are the key properties of 5-bromo-N-propan-2-ylpyridin-3-amine;tris(2-ethoxyethyl(trimethyl)silane);iodomethane;2-iodopropane;5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazole-3-carbaldehyde;bis(N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine);4-pyridin-3-ylpyridine-2,3-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;bis(vanadium)?

5-bromo-N-propan-2-ylpyridin-3-amine;tris(2-ethoxyethyl(trimethyl)silane);iodomethane;2-iodopropane;5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazole-3-carbaldehyde;bis(N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine);4-pyridin-3-ylpyridine-2,3-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;bis(vanadium) has a molecular weight of 2697.51 g/mol, XLogP of 30.08, 31 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-propan-2-ylpyridin-3-amine;tris(2-ethoxyethyl(trimethyl)silane);iodomethane;2-iodopropane;5-[5-(propan-2-ylamino)-3-pyridinyl]-2H-indazole-3-carbaldehyde;bis(N-propan-2-yl-5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine);4-pyridin-3-ylpyridine-2,3-diamine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;bis(vanadium) is sourced from PubChem (CID 159597975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).