6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine

C26H32N8O3 — CID 175908419

About 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine

6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 175908419) has the molecular formula C26H32N8O3 and a molecular weight of 504.60 g/mol. Its IUPAC name is 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

• Compound Name: 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine
• PubChem CID: 175908419
• Molecular Formula: C26H32N8O3
• Molecular Weight: 504.60 g/mol
• Exact Mass: 504.26
• IUPAC Name: 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine
• SMILES: COc1cc(N2CCOCC2)ccc1C1(N)N/C(=N\C2CCOCC2)c2c(n[nH]c2-c2cccnc2)N1
• InChI: InChI=1S/C26H32N8O3/c1-35-21-15-19(34-9-13-37-14-10-34)4-5-20(21)26(27)30-24(29-18-6-11-36-12-7-18)22-23(32-33-25(22)31-26)17-3-2-8-28-16-17/h2-5,8,15-16,18H,6-7,9-14,27H2,1H3,(H,29,30)(H2,31,32,33)
• InChIKey: SMONGVMKPORMDG-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 134.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.60
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine?

The IUPAC name of 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 175908419) is 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine.

What is the SMILES notation for 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine?

The canonical SMILES for 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine is COc1cc(N2CCOCC2)ccc1C1(N)N/C(=N\C2CCOCC2)c2c(n[nH]c2-c2cccnc2)N1.

What is the InChIKey of 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine?

The InChIKey is SMONGVMKPORMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O3/c1-35-21-15-19(34-9-13-37-14-10-34)4-5-20(21)26(27)30-24(29-18-6-11-36-12-7-18)22-23(32-33-25(22)31-26)17-3-2-8-28-16-17/h2-5,8,15-16,18H,6-7,9-14,27H2,1H3,(H,29,30)(H2,31,32,33).

What are the key properties of 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine?

6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 504.60 g/mol, XLogP of 2.03, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-methoxy-4-morpholin-4-ylphenyl)-4-(oxan-4-ylimino)-3-pyridin-3-yl-5,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 175908419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).