N-(6-chloropyrazin-2-yl)-N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]propan-1-amine;3-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine

C70H88BClN18O4 — CID 157428183

About N-(6-chloropyrazin-2-yl)-N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]propan-1-amine;3-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine

N-(6-chloropyrazin-2-yl)-N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]propan-1-amine;3-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine (PubChem CID 157428183) has the molecular formula C70H88BClN18O4 and a molecular weight of 1291.86 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]propan-1-amine;3-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: N-(6-chloropyrazin-2-yl)-N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]propan-1-amine;3-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
• PubChem CID: 157428183
• Molecular Formula: C70H88BClN18O4
• Molecular Weight: 1291.86 g/mol
• Exact Mass: 1290.70
• IUPAC Name: N-(6-chloropyrazin-2-yl)-N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]propan-1-amine;3-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
• SMILES: CC1=NCc2ncc(-c3cncc(CCCN(C)C)n3)cc21.CN(C)CCNc1cncc(Cl)n1.COc1ccc(Cn2nc(C)c3cc(-c4cncc(CCCN(C)C)n4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1
• InChI: InChI=1S/C24H28N6O.C21H26BN3O3.C17H21N5.C8H13ClN4/c1-17-22-12-19(23-15-25-14-20(27-23)6-5-11-29(2)3)13-26-24(22)30(28-17)16-18-7-9-21(31-4)10-8-18;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;1-12-15-7-13(8-20-17(15)11-19-12)16-10-18-9-14(21-16)5-4-6-22(2)3;1-13(2)4-3-11-8-6-10-5-7(9)12-8/h7-10,12-15H,5-6,11,16H2,1-4H3;7-12H,13H2,1-6H3;7-10H,4-6,11H2,1-3H3;5-6H,3-4H2,1-2H3,(H,11,12)
• InChIKey: BQFDHBGLOIISOK-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 222.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1291.86
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]propan-1-amine;3-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?

The IUPAC name of N-(6-chloropyrazin-2-yl)-N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]propan-1-amine;3-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine (CID 157428183) is N-(6-chloropyrazin-2-yl)-N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]propan-1-amine;3-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine.

What is the SMILES notation for N-(6-chloropyrazin-2-yl)-N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]propan-1-amine;3-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?

The canonical SMILES for N-(6-chloropyrazin-2-yl)-N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]propan-1-amine;3-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine is CC1=NCc2ncc(-c3cncc(CCCN(C)C)n3)cc21.CN(C)CCNc1cncc(Cl)n1.COc1ccc(Cn2nc(C)c3cc(-c4cncc(CCCN(C)C)n4)cnc32)cc1.COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1.

What is the InChIKey of N-(6-chloropyrazin-2-yl)-N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]propan-1-amine;3-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?

The InChIKey is BQFDHBGLOIISOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O.C21H26BN3O3.C17H21N5.C8H13ClN4/c1-17-22-12-19(23-15-25-14-20(27-23)6-5-11-29(2)3)13-26-24(22)30(28-17)16-18-7-9-21(31-4)10-8-18;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;1-12-15-7-13(8-20-17(15)11-19-12)16-10-18-9-14(21-16)5-4-6-22(2)3;1-13(2)4-3-11-8-6-10-5-7(9)12-8/h7-10,12-15H,5-6,11,16H2,1-4H3;7-12H,13H2,1-6H3;7-10H,4-6,11H2,1-3H3;5-6H,3-4H2,1-2H3,(H,11,12).

What are the key properties of N-(6-chloropyrazin-2-yl)-N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]propan-1-amine;3-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?

N-(6-chloropyrazin-2-yl)-N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]propan-1-amine;3-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 1291.86 g/mol, XLogP of 10.30, 21 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-chloropyrazin-2-yl)-N',N'-dimethylethane-1,2-diamine;N,N-dimethyl-3-[6-(5-methyl-7H-pyrrolo[3,4-b]pyridin-3-yl)pyrazin-2-yl]propan-1-amine;3-[6-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]pyrazin-2-yl]-N,N-dimethylpropan-1-amine;1-[(4-methoxyphenyl)methyl]-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 157428183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).