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

C68H79BN14O6 — CID 158461409

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

2-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-(1-methylpiperidin-4-yl)-2-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]ethanone (PubChem CID 158461409) has the molecular formula C68H79BN14O6 and a molecular weight of 1199.28 g/mol. Its IUPAC name is 2-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-(1-methylpiperidin-4-yl)-2-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-(1-methylpiperidin-4-yl)-2-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]ethanone
• PubChem CID: 158461409
• Molecular Formula: C68H79BN14O6
• Molecular Weight: 1199.28 g/mol
• Exact Mass: 1198.64
• IUPAC Name: 2-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-(1-methylpiperidin-4-yl)-2-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]ethanone
• SMILES: CC1=NCc2ncc(-c3cncc(CC(=O)C4CCN(C)CC4)n3)cc21.COc1ccc(Cn2nc(C)c3cc(-c4cncc(CC(=O)C5CCN(C)CC5)n4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1
• InChI: InChI=1S/C27H30N6O2.C21H26BN3O3.C20H23N5O/c1-18-24-12-21(14-29-27(24)33(31-18)17-19-4-6-23(35-3)7-5-19)25-16-28-15-22(30-25)13-26(34)20-8-10-32(2)11-9-20;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;1-13-17-7-15(9-23-19(17)12-22-13)18-11-21-10-16(24-18)8-20(26)14-3-5-25(2)6-4-14/h4-7,12,14-16,20H,8-11,13,17H2,1-3H3;7-12H,13H2,1-6H3;7,9-11,14H,3-6,8,12H2,1-2H3
• InChIKey: HFFJRZZWGHSUHY-UHFFFAOYSA-N
• XLogP: 9.12
• TPSA: 215.77 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1199.28
LogP ≤ 5	9.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-(1-methylpiperidin-4-yl)-2-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]ethanone (CID 158461409) is 2-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-(1-methylpiperidin-4-yl)-2-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]ethanone.

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

The canonical SMILES for 2-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-(1-methylpiperidin-4-yl)-2-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]ethanone is CC1=NCc2ncc(-c3cncc(CC(=O)C4CCN(C)CC4)n3)cc21.COc1ccc(Cn2nc(C)c3cc(-c4cncc(CC(=O)C5CCN(C)CC5)n4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.

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

The InChIKey is HFFJRZZWGHSUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2.C21H26BN3O3.C20H23N5O/c1-18-24-12-21(14-29-27(24)33(31-18)17-19-4-6-23(35-3)7-5-19)25-16-28-15-22(30-25)13-26(34)20-8-10-32(2)11-9-20;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;1-13-17-7-15(9-23-19(17)12-22-13)18-11-21-10-16(24-18)8-20(26)14-3-5-25(2)6-4-14/h4-7,12,14-16,20H,8-11,13,17H2,1-3H3;7-12H,13H2,1-6H3;7,9-11,14H,3-6,8,12H2,1-2H3.

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

2-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-(1-methylpiperidin-4-yl)-2-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]ethanone has a molecular weight of 1199.28 g/mol, XLogP of 9.12, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-1-(1-methylpiperidin-4-yl)ethanone;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine;1-(1-methylpiperidin-4-yl)-2-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]ethanone is sourced from PubChem (CID 158461409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).