6-bromo-2-ethanimidoyl-4-[[(5-methoxy-3-pyridinyl)amino]methyl]-N-propan-2-ylpyridin-3-amine;N-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]methyl]-5-methoxypyridin-3-amine

C41H50BrN11O3 — CID 159886599

About 6-bromo-2-ethanimidoyl-4-[[(5-methoxy-3-pyridinyl)amino]methyl]-N-propan-2-ylpyridin-3-amine;N-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]methyl]-5-methoxypyridin-3-amine

6-bromo-2-ethanimidoyl-4-[[(5-methoxy-3-pyridinyl)amino]methyl]-N-propan-2-ylpyridin-3-amine;N-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]methyl]-5-methoxypyridin-3-amine (PubChem CID 159886599) has the molecular formula C41H50BrN11O3 and a molecular weight of 824.83 g/mol. Its IUPAC name is 6-bromo-2-ethanimidoyl-4-[[(5-methoxy-3-pyridinyl)amino]methyl]-N-propan-2-ylpyridin-3-amine;N-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]methyl]-5-methoxypyridin-3-amine.

Molecular Properties

• Compound Name: 6-bromo-2-ethanimidoyl-4-[[(5-methoxy-3-pyridinyl)amino]methyl]-N-propan-2-ylpyridin-3-amine;N-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]methyl]-5-methoxypyridin-3-amine
• PubChem CID: 159886599
• Molecular Formula: C41H50BrN11O3
• Molecular Weight: 824.83 g/mol
• Exact Mass: 823.33
• IUPAC Name: 6-bromo-2-ethanimidoyl-4-[[(5-methoxy-3-pyridinyl)amino]methyl]-N-propan-2-ylpyridin-3-amine;N-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]methyl]-5-methoxypyridin-3-amine
• SMILES: CCOc1ncccc1-c1cc(CNc2cncc(OC)c2)c2c(n1)c(C)nn2C(C)C.[H]/N=C(\C)c1nc(Br)cc(CNc2cncc(OC)c2)c1NC(C)C
• InChI: InChI=1S/C24H28N6O2.C17H22BrN5O/c1-6-32-24-20(8-7-9-26-24)21-10-17(12-27-18-11-19(31-5)14-25-13-18)23-22(28-21)16(4)29-30(23)15(2)3;1-10(2)22-17-12(5-15(18)23-16(17)11(3)19)7-21-13-6-14(24-4)9-20-8-13/h7-11,13-15,27H,6,12H2,1-5H3;5-6,8-10,19,21-22H,7H2,1-4H3/b;19-11+
• InChIKey: NUFFUTXJFLRBFA-RZPUWWFNSA-N
• XLogP: 8.86
• TPSA: 169.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	824.83
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethanimidoyl-4-[[(5-methoxy-3-pyridinyl)amino]methyl]-N-propan-2-ylpyridin-3-amine;N-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]methyl]-5-methoxypyridin-3-amine?

The IUPAC name of 6-bromo-2-ethanimidoyl-4-[[(5-methoxy-3-pyridinyl)amino]methyl]-N-propan-2-ylpyridin-3-amine;N-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]methyl]-5-methoxypyridin-3-amine (CID 159886599) is 6-bromo-2-ethanimidoyl-4-[[(5-methoxy-3-pyridinyl)amino]methyl]-N-propan-2-ylpyridin-3-amine;N-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]methyl]-5-methoxypyridin-3-amine.

What is the SMILES notation for 6-bromo-2-ethanimidoyl-4-[[(5-methoxy-3-pyridinyl)amino]methyl]-N-propan-2-ylpyridin-3-amine;N-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]methyl]-5-methoxypyridin-3-amine?

The canonical SMILES for 6-bromo-2-ethanimidoyl-4-[[(5-methoxy-3-pyridinyl)amino]methyl]-N-propan-2-ylpyridin-3-amine;N-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]methyl]-5-methoxypyridin-3-amine is CCOc1ncccc1-c1cc(CNc2cncc(OC)c2)c2c(n1)c(C)nn2C(C)C.[H]/N=C(\C)c1nc(Br)cc(CNc2cncc(OC)c2)c1NC(C)C.

What is the InChIKey of 6-bromo-2-ethanimidoyl-4-[[(5-methoxy-3-pyridinyl)amino]methyl]-N-propan-2-ylpyridin-3-amine;N-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]methyl]-5-methoxypyridin-3-amine?

The InChIKey is NUFFUTXJFLRBFA-RZPUWWFNSA-N. The full InChI is InChI=1S/C24H28N6O2.C17H22BrN5O/c1-6-32-24-20(8-7-9-26-24)21-10-17(12-27-18-11-19(31-5)14-25-13-18)23-22(28-21)16(4)29-30(23)15(2)3;1-10(2)22-17-12(5-15(18)23-16(17)11(3)19)7-21-13-6-14(24-4)9-20-8-13/h7-11,13-15,27H,6,12H2,1-5H3;5-6,8-10,19,21-22H,7H2,1-4H3/b;19-11+.

What are the key properties of 6-bromo-2-ethanimidoyl-4-[[(5-methoxy-3-pyridinyl)amino]methyl]-N-propan-2-ylpyridin-3-amine;N-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]methyl]-5-methoxypyridin-3-amine?

6-bromo-2-ethanimidoyl-4-[[(5-methoxy-3-pyridinyl)amino]methyl]-N-propan-2-ylpyridin-3-amine;N-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]methyl]-5-methoxypyridin-3-amine has a molecular weight of 824.83 g/mol, XLogP of 8.86, 15 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-ethanimidoyl-4-[[(5-methoxy-3-pyridinyl)amino]methyl]-N-propan-2-ylpyridin-3-amine;N-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]methyl]-5-methoxypyridin-3-amine is sourced from PubChem (CID 159886599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).