(5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide

C23H23N4O2P — CID 2323006

About (5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide

(5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide (PubChem CID 2323006) has the molecular formula C23H23N4O2P and a molecular weight of 418.44 g/mol. Its IUPAC name is (5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide.

Molecular Properties

• Compound Name: (5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide
• PubChem CID: 2323006
• Molecular Formula: C23H23N4O2P
• Molecular Weight: 418.44 g/mol
• Exact Mass: 418.16
• IUPAC Name: (5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide
• SMILES: Cc1nn(-c2ccccc2)c2c1P(=O)(O)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2
• InChI: InChI=1S/C23H23N4O2P/c1-15-20-22(27(25-15)16-10-6-5-7-11-16)24-14-19(30(20,28)29)21-23(2,3)17-12-8-9-13-18(17)26(21)4/h5-14H,1-4H3,(H,28,29)/b21-19+
• InChIKey: FUFPPTPUGNRTDK-XUTLUUPISA-N
• XLogP: 4.43
• TPSA: 70.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.44
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide?

The IUPAC name of (5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide (CID 2323006) is (5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide.

What is the SMILES notation for (5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide?

The canonical SMILES for (5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide is Cc1nn(-c2ccccc2)c2c1P(=O)(O)/C(=C1/N(C)c3ccccc3C1(C)C)C=N2.

What is the InChIKey of (5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide?

The InChIKey is FUFPPTPUGNRTDK-XUTLUUPISA-N. The full InChI is InChI=1S/C23H23N4O2P/c1-15-20-22(27(25-15)16-10-6-5-7-11-16)24-14-19(30(20,28)29)21-23(2,3)17-12-8-9-13-18(17)26(21)4/h5-14H,1-4H3,(H,28,29)/b21-19+.

What are the key properties of (5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide?

(5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide has a molecular weight of 418.44 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-4-hydroxy-3-methyl-1-phenyl-5-(1,3,3-trimethylindol-2-ylidene)pyrazolo[5,4-b][1,4]azaphosphinine 4-oxide is sourced from PubChem (CID 2323006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).