8-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[di(propan-2-yl)amino]-[(E)-propylideneamino]oxyphosphanyl]oxy-4-methoxyoxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

C41H52N7O7P — CID 72548765

About 8-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[di(propan-2-yl)amino]-[(E)-propylideneamino]oxyphosphanyl]oxy-4-methoxyoxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine

8-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[di(propan-2-yl)amino]-[(E)-propylideneamino]oxyphosphanyl]oxy-4-methoxyoxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 72548765) has the molecular formula C41H52N7O7P and a molecular weight of 785.88 g/mol. Its IUPAC name is 8-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[di(propan-2-yl)amino]-[(E)-propylideneamino]oxyphosphanyl]oxy-4-methoxyoxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

• Compound Name: 8-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[di(propan-2-yl)amino]-[(E)-propylideneamino]oxyphosphanyl]oxy-4-methoxyoxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
• PubChem CID: 72548765
• Molecular Formula: C41H52N7O7P
• Molecular Weight: 785.88 g/mol
• Exact Mass: 785.37
• IUPAC Name: 8-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[di(propan-2-yl)amino]-[(E)-propylideneamino]oxyphosphanyl]oxy-4-methoxyoxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
• SMILES: CC/C=N/OP(OC1C(c2cnn3c(N)ncnc23)OC(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1OC)N(C(C)C)C(C)C
• InChI: InChI=1S/C41H52N7O7P/c1-9-23-46-55-56(48(27(2)3)28(4)5)54-38-36(34-24-45-47-39(34)43-26-44-40(47)42)53-35(37(38)51-8)25-52-41(29-13-11-10-12-14-29,30-15-19-32(49-6)20-16-30)31-17-21-33(50-7)22-18-31/h10-24,26-28,35-38H,9,25H2,1-8H3,(H2,42,43,44)/b46-23+
• InChIKey: ASKAXIIZWLCOCN-ZBIWZBSJSA-N
• XLogP: 7.33
• TPSA: 149.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	785.88
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[di(propan-2-yl)amino]-[(E)-propylideneamino]oxyphosphanyl]oxy-4-methoxyoxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?

The IUPAC name of 8-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[di(propan-2-yl)amino]-[(E)-propylideneamino]oxyphosphanyl]oxy-4-methoxyoxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 72548765) is 8-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[di(propan-2-yl)amino]-[(E)-propylideneamino]oxyphosphanyl]oxy-4-methoxyoxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine.

What is the SMILES notation for 8-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[di(propan-2-yl)amino]-[(E)-propylideneamino]oxyphosphanyl]oxy-4-methoxyoxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?

The canonical SMILES for 8-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[di(propan-2-yl)amino]-[(E)-propylideneamino]oxyphosphanyl]oxy-4-methoxyoxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is CC/C=N/OP(OC1C(c2cnn3c(N)ncnc23)OC(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C1OC)N(C(C)C)C(C)C.

What is the InChIKey of 8-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[di(propan-2-yl)amino]-[(E)-propylideneamino]oxyphosphanyl]oxy-4-methoxyoxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?

The InChIKey is ASKAXIIZWLCOCN-ZBIWZBSJSA-N. The full InChI is InChI=1S/C41H52N7O7P/c1-9-23-46-55-56(48(27(2)3)28(4)5)54-38-36(34-24-45-47-39(34)43-26-44-40(47)42)53-35(37(38)51-8)25-52-41(29-13-11-10-12-14-29,30-15-19-32(49-6)20-16-30)31-17-21-33(50-7)22-18-31/h10-24,26-28,35-38H,9,25H2,1-8H3,(H2,42,43,44)/b46-23+.

What are the key properties of 8-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[di(propan-2-yl)amino]-[(E)-propylideneamino]oxyphosphanyl]oxy-4-methoxyoxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine?

8-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[di(propan-2-yl)amino]-[(E)-propylideneamino]oxyphosphanyl]oxy-4-methoxyoxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 785.88 g/mol, XLogP of 7.33, 18 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[[di(propan-2-yl)amino]-[(E)-propylideneamino]oxyphosphanyl]oxy-4-methoxyoxolan-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 72548765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).