3-bromo-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[6-(2-hydroxy(214C)propan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl](114C)ethanol;hydrochloride

C48H69BBrClN10O8 — CID 158131707

About 3-bromo-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[6-(2-hydroxy(214C)propan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl](114C)ethanol;hydrochloride

3-bromo-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[6-(2-hydroxy(214C)propan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl](114C)ethanol;hydrochloride (PubChem CID 158131707) has the molecular formula C48H69BBrClN10O8 and a molecular weight of 1044.30 g/mol. Its IUPAC name is 3-bromo-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[6-(2-hydroxy(214C)propan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl](114C)ethanol;hydrochloride.

Molecular Properties

• Compound Name: 3-bromo-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[6-(2-hydroxy(214C)propan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl](114C)ethanol;hydrochloride
• PubChem CID: 158131707
• Molecular Formula: C48H69BBrClN10O8
• Molecular Weight: 1044.30 g/mol
• Exact Mass: 1042.43
• IUPAC Name: 3-bromo-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[6-(2-hydroxy(214C)propan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl](114C)ethanol;hydrochloride
• SMILES: C.COC1CCC(N2C(=O)CNc3ncc(-c4ccc([14C](C)(C)O)nc4)nc32)CC1.COC1CCC(N2C(=O)CNc3ncc(Br)nc32)CC1.C[14CH](O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.Cl
• InChI: InChI=1S/C21H27N5O3.C13H20BNO3.C13H17BrN4O2.CH4.ClH/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14;1-9(16)11-7-6-10(8-15-11)14-17-12(2,3)13(4,5)18-14;1-20-9-4-2-8(3-5-9)18-11(19)7-16-12-13(18)17-10(14)6-15-12;;/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24);6-9,16H,1-5H3;6,8-9H,2-5,7H2,1H3,(H,15,16);1H4;1H/i21+2;9+2
• InChIKey: OMLRHEZTJIOQRP-GEIXYHAYSA-N
• XLogP: 6.93
• TPSA: 219.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1044.30
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[6-(2-hydroxy(214C)propan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl](114C)ethanol;hydrochloride?

The IUPAC name of 3-bromo-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[6-(2-hydroxy(214C)propan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl](114C)ethanol;hydrochloride (CID 158131707) is 3-bromo-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[6-(2-hydroxy(214C)propan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl](114C)ethanol;hydrochloride.

What is the SMILES notation for 3-bromo-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[6-(2-hydroxy(214C)propan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl](114C)ethanol;hydrochloride?

The canonical SMILES for 3-bromo-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[6-(2-hydroxy(214C)propan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl](114C)ethanol;hydrochloride is C.COC1CCC(N2C(=O)CNc3ncc(-c4ccc([14C](C)(C)O)nc4)nc32)CC1.COC1CCC(N2C(=O)CNc3ncc(Br)nc32)CC1.C[14CH](O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.Cl.

What is the InChIKey of 3-bromo-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[6-(2-hydroxy(214C)propan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl](114C)ethanol;hydrochloride?

The InChIKey is OMLRHEZTJIOQRP-GEIXYHAYSA-N. The full InChI is InChI=1S/C21H27N5O3.C13H20BNO3.C13H17BrN4O2.CH4.ClH/c1-21(2,28)17-9-4-13(10-22-17)16-11-23-19-20(25-16)26(18(27)12-24-19)14-5-7-15(29-3)8-6-14;1-9(16)11-7-6-10(8-15-11)14-17-12(2,3)13(4,5)18-14;1-20-9-4-2-8(3-5-9)18-11(19)7-16-12-13(18)17-10(14)6-15-12;;/h4,9-11,14-15,28H,5-8,12H2,1-3H3,(H,23,24);6-9,16H,1-5H3;6,8-9H,2-5,7H2,1H3,(H,15,16);1H4;1H/i21+2;9+2;;;.

What are the key properties of 3-bromo-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[6-(2-hydroxy(214C)propan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl](114C)ethanol;hydrochloride?

3-bromo-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[6-(2-hydroxy(214C)propan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl](114C)ethanol;hydrochloride has a molecular weight of 1044.30 g/mol, XLogP of 6.93, 8 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;3-[6-(2-hydroxy(214C)propan-2-yl)-3-pyridinyl]-5-(4-methoxycyclohexyl)-7,8-dihydropyrazino[2,3-b]pyrazin-6-one;methane;1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl](114C)ethanol;hydrochloride is sourced from PubChem (CID 158131707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).