2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethanol;2-[4-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]piperazin-1-yl]ethanol;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;2-[4-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol

C74H92BClN20O7 — CID 158383034

About 2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethanol;2-[4-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]piperazin-1-yl]ethanol;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;2-[4-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol

2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethanol;2-[4-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]piperazin-1-yl]ethanol;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;2-[4-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol (PubChem CID 158383034) has the molecular formula C74H92BClN20O7 and a molecular weight of 1419.95 g/mol. Its IUPAC name is 2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethanol;2-[4-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]piperazin-1-yl]ethanol;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;2-[4-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethanol;2-[4-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]piperazin-1-yl]ethanol;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;2-[4-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol
• PubChem CID: 158383034
• Molecular Formula: C74H92BClN20O7
• Molecular Weight: 1419.95 g/mol
• Exact Mass: 1418.72
• IUPAC Name: 2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethanol;2-[4-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]piperazin-1-yl]ethanol;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;2-[4-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol
• SMILES: CC1=NCc2ncc(-c3cncc(N4CCN(CCO)CC4)n3)cc21.COc1ccc(Cn2nc(C)c3cc(-c4cncc(N5CCN(CCO)CC5)n4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.OCCN1CCN(c2cncc(Cl)n2)CC1
• InChI: InChI=1S/C25H29N7O2.C21H26BN3O3.C18H22N6O.C10H15ClN4O/c1-18-22-13-20(14-27-25(22)32(29-18)17-19-3-5-21(34-2)6-4-19)23-15-26-16-24(28-23)31-9-7-30(8-10-31)11-12-33;1-14-18-11-16(22-27-20(2,3)21(4,5)28-22)12-23-19(18)25(24-14)13-15-7-9-17(26-6)10-8-15;1-13-15-8-14(9-21-17(15)11-20-13)16-10-19-12-18(22-16)24-4-2-23(3-5-24)6-7-25;11-9-7-12-8-10(13-9)15-3-1-14(2-4-15)5-6-16/h3-6,13-16,33H,7-12,17H2,1-2H3;7-12H,13H2,1-6H3;8-10,12,25H,2-7,11H2,1H3;7-8,16H,1-6H2
• InChIKey: GWAKCXZYDGZFSV-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 281.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 18
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1419.95
LogP ≤ 5	6.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethanol;2-[4-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]piperazin-1-yl]ethanol;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;2-[4-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol?

The IUPAC name of 2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethanol;2-[4-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]piperazin-1-yl]ethanol;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;2-[4-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol (CID 158383034) is 2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethanol;2-[4-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]piperazin-1-yl]ethanol;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;2-[4-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol.

What is the SMILES notation for 2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethanol;2-[4-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]piperazin-1-yl]ethanol;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;2-[4-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol?

The canonical SMILES for 2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethanol;2-[4-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]piperazin-1-yl]ethanol;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;2-[4-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol is CC1=NCc2ncc(-c3cncc(N4CCN(CCO)CC4)n3)cc21.COc1ccc(Cn2nc(C)c3cc(-c4cncc(N5CCN(CCO)CC5)n4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.OCCN1CCN(c2cncc(Cl)n2)CC1.

What is the InChIKey of 2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethanol;2-[4-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]piperazin-1-yl]ethanol;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;2-[4-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol?

The InChIKey is GWAKCXZYDGZFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2.C21H26BN3O3.C18H22N6O.C10H15ClN4O/c1-18-22-13-20(14-27-25(22)32(29-18)17-19-3-5-21(34-2)6-4-19)23-15-26-16-24(28-23)31-9-7-30(8-10-31)11-12-33;1-14-18-11-16(22-27-20(2,3)21(4,5)28-22)12-23-19(18)25(24-14)13-15-7-9-17(26-6)10-8-15;1-13-15-8-14(9-21-17(15)11-20-13)16-10-19-12-18(22-16)24-4-2-23(3-5-24)6-7-25;11-9-7-12-8-10(13-9)15-3-1-14(2-4-15)5-6-16/h3-6,13-16,33H,7-12,17H2,1-2H3;7-12H,13H2,1-6H3;8-10,12,25H,2-7,11H2,1H3;7-8,16H,1-6H2.

What are the key properties of 2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethanol;2-[4-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]piperazin-1-yl]ethanol;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;2-[4-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol?

2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethanol;2-[4-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]piperazin-1-yl]ethanol;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;2-[4-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol has a molecular weight of 1419.95 g/mol, XLogP of 6.68, 18 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]ethanol;2-[4-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]piperazin-1-yl]ethanol;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;2-[4-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 158383034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).