5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine

C27H23F2N5O — CID 66806289

About 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine

5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine (PubChem CID 66806289) has the molecular formula C27H23F2N5O and a molecular weight of 471.51 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine.

Molecular Properties

• Compound Name: 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
• PubChem CID: 66806289
• Molecular Formula: C27H23F2N5O
• Molecular Weight: 471.51 g/mol
• Exact Mass: 471.19
• IUPAC Name: 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine
• SMILES: COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)c(F)c3)c-2c/c1=N\C(C)C
• InChI: InChI=1S/C27H23F2N5O/c1-16(2)31-23-15-26-24(14-22(23)33-21-8-6-12-30-27(21)35-3)32-20-7-4-5-9-25(20)34(26)17-10-11-18(28)19(29)13-17/h4-16,33H,1-3H3/b31-23+
• InChIKey: FPXJANGTAMLCTL-UQRQXUALSA-N
• XLogP: 5.86
• TPSA: 64.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.51
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?

The IUPAC name of 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine (CID 66806289) is 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine.

What is the SMILES notation for 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?

The canonical SMILES for 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine is COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)c(F)c3)c-2c/c1=N\C(C)C.

What is the InChIKey of 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?

The InChIKey is FPXJANGTAMLCTL-UQRQXUALSA-N. The full InChI is InChI=1S/C27H23F2N5O/c1-16(2)31-23-15-26-24(14-22(23)33-21-8-6-12-30-27(21)35-3)32-20-7-4-5-9-25(20)34(26)17-10-11-18(28)19(29)13-17/h4-16,33H,1-3H3/b31-23+.

What are the key properties of 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine?

5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine has a molecular weight of 471.51 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-difluorophenyl)-N-(2-methoxy-3-pyridinyl)-3-propan-2-yliminophenazin-2-amine is sourced from PubChem (CID 66806289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).