2-bromo-6-ethylpyridine;2-N-tert-butyl-8-N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;N-tert-butyl-4-(5-methylfuran-2-yl)-8-nitrosopyrazolo[1,5-a][1,3,5]triazin-2-amine;methane;4-(5-methylfuran-2-yl)-8-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine

C69H91BrN22O6Si — CID 159012958

About 2-bromo-6-ethylpyridine;2-N-tert-butyl-8-N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;N-tert-butyl-4-(5-methylfuran-2-yl)-8-nitrosopyrazolo[1,5-a][1,3,5]triazin-2-amine;methane;4-(5-methylfuran-2-yl)-8-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine

2-bromo-6-ethylpyridine;2-N-tert-butyl-8-N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;N-tert-butyl-4-(5-methylfuran-2-yl)-8-nitrosopyrazolo[1,5-a][1,3,5]triazin-2-amine;methane;4-(5-methylfuran-2-yl)-8-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine (PubChem CID 159012958) has the molecular formula C69H91BrN22O6Si and a molecular weight of 1432.62 g/mol. Its IUPAC name is 2-bromo-6-ethylpyridine;2-N-tert-butyl-8-N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;N-tert-butyl-4-(5-methylfuran-2-yl)-8-nitrosopyrazolo[1,5-a][1,3,5]triazin-2-amine;methane;4-(5-methylfuran-2-yl)-8-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine.

Molecular Properties

• Compound Name: 2-bromo-6-ethylpyridine;2-N-tert-butyl-8-N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;N-tert-butyl-4-(5-methylfuran-2-yl)-8-nitrosopyrazolo[1,5-a][1,3,5]triazin-2-amine;methane;4-(5-methylfuran-2-yl)-8-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine
• PubChem CID: 159012958
• Molecular Formula: C69H91BrN22O6Si
• Molecular Weight: 1432.62 g/mol
• Exact Mass: 1430.64
• IUPAC Name: 2-bromo-6-ethylpyridine;2-N-tert-butyl-8-N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;N-tert-butyl-4-(5-methylfuran-2-yl)-8-nitrosopyrazolo[1,5-a][1,3,5]triazin-2-amine;methane;4-(5-methylfuran-2-yl)-8-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine
• SMILES: C.C.CCc1cccc(Br)n1.Cc1ccc(-c2nc(N)nc3c(Nc4cccc(CN5CCOCC5)n4)cnn23)o1.Cc1ccc(-c2nc(NC(C)(C)C)nc3c(N=O)cnn23)o1.Cc1ccc(-c2nc(NC(C)(C)C)nc3c(Nc4cccc(CO[Si](C)(C)C(C)(C)C)n4)cnn23)o1
• InChI: InChI=1S/C26H37N7O2Si.C20H22N8O2.C14H16N6O2.C7H8BrN.2CH4/c1-17-13-14-20(35-17)23-31-24(32-25(2,3)4)30-22-19(15-27-33(22)23)29-21-12-10-11-18(28-21)16-34-36(8,9)26(5,6)7;1-13-5-6-16(30-13)19-26-20(21)25-18-15(11-22-28(18)19)24-17-4-2-3-14(23-17)12-27-7-9-29-10-8-27;1-8-5-6-10(22-8)12-17-13(18-14(2,3)4)16-11-9(19-21)7-15-20(11)12;1-2-6-4-3-5-7(8)9-6;;/h10-15H,16H2,1-9H3,(H,28,29)(H,30,32);2-6,11H,7-10,12H2,1H3,(H2,21,25)(H,23,24);5-7H,1-4H3,(H,16,18);3-5H,2H2,1H3;2*1H4
• InChIKey: JSSQEHWHNBVHPG-UHFFFAOYSA-N
• XLogP: 15.79
• TPSA: 332.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1432.62
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethylpyridine;2-N-tert-butyl-8-N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;N-tert-butyl-4-(5-methylfuran-2-yl)-8-nitrosopyrazolo[1,5-a][1,3,5]triazin-2-amine;methane;4-(5-methylfuran-2-yl)-8-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine?

The IUPAC name of 2-bromo-6-ethylpyridine;2-N-tert-butyl-8-N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;N-tert-butyl-4-(5-methylfuran-2-yl)-8-nitrosopyrazolo[1,5-a][1,3,5]triazin-2-amine;methane;4-(5-methylfuran-2-yl)-8-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine (CID 159012958) is 2-bromo-6-ethylpyridine;2-N-tert-butyl-8-N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;N-tert-butyl-4-(5-methylfuran-2-yl)-8-nitrosopyrazolo[1,5-a][1,3,5]triazin-2-amine;methane;4-(5-methylfuran-2-yl)-8-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine.

What is the SMILES notation for 2-bromo-6-ethylpyridine;2-N-tert-butyl-8-N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;N-tert-butyl-4-(5-methylfuran-2-yl)-8-nitrosopyrazolo[1,5-a][1,3,5]triazin-2-amine;methane;4-(5-methylfuran-2-yl)-8-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine?

The canonical SMILES for 2-bromo-6-ethylpyridine;2-N-tert-butyl-8-N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;N-tert-butyl-4-(5-methylfuran-2-yl)-8-nitrosopyrazolo[1,5-a][1,3,5]triazin-2-amine;methane;4-(5-methylfuran-2-yl)-8-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine is C.C.CCc1cccc(Br)n1.Cc1ccc(-c2nc(N)nc3c(Nc4cccc(CN5CCOCC5)n4)cnn23)o1.Cc1ccc(-c2nc(NC(C)(C)C)nc3c(N=O)cnn23)o1.Cc1ccc(-c2nc(NC(C)(C)C)nc3c(Nc4cccc(CO[Si](C)(C)C(C)(C)C)n4)cnn23)o1.

What is the InChIKey of 2-bromo-6-ethylpyridine;2-N-tert-butyl-8-N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;N-tert-butyl-4-(5-methylfuran-2-yl)-8-nitrosopyrazolo[1,5-a][1,3,5]triazin-2-amine;methane;4-(5-methylfuran-2-yl)-8-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine?

The InChIKey is JSSQEHWHNBVHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O2Si.C20H22N8O2.C14H16N6O2.C7H8BrN.2CH4/c1-17-13-14-20(35-17)23-31-24(32-25(2,3)4)30-22-19(15-27-33(22)23)29-21-12-10-11-18(28-21)16-34-36(8,9)26(5,6)7;1-13-5-6-16(30-13)19-26-20(21)25-18-15(11-22-28(18)19)24-17-4-2-3-14(23-17)12-27-7-9-29-10-8-27;1-8-5-6-10(22-8)12-17-13(18-14(2,3)4)16-11-9(19-21)7-15-20(11)12;1-2-6-4-3-5-7(8)9-6;;/h10-15H,16H2,1-9H3,(H,28,29)(H,30,32);2-6,11H,7-10,12H2,1H3,(H2,21,25)(H,23,24);5-7H,1-4H3,(H,16,18);3-5H,2H2,1H3;2*1H4.

What are the key properties of 2-bromo-6-ethylpyridine;2-N-tert-butyl-8-N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;N-tert-butyl-4-(5-methylfuran-2-yl)-8-nitrosopyrazolo[1,5-a][1,3,5]triazin-2-amine;methane;4-(5-methylfuran-2-yl)-8-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine?

2-bromo-6-ethylpyridine;2-N-tert-butyl-8-N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;N-tert-butyl-4-(5-methylfuran-2-yl)-8-nitrosopyrazolo[1,5-a][1,3,5]triazin-2-amine;methane;4-(5-methylfuran-2-yl)-8-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine has a molecular weight of 1432.62 g/mol, XLogP of 15.79, 16 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-ethylpyridine;2-N-tert-butyl-8-N-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(5-methylfuran-2-yl)pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine;N-tert-butyl-4-(5-methylfuran-2-yl)-8-nitrosopyrazolo[1,5-a][1,3,5]triazin-2-amine;methane;4-(5-methylfuran-2-yl)-8-N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]pyrazolo[1,5-a][1,3,5]triazine-2,8-diamine is sourced from PubChem (CID 159012958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).