3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine

C27H20Cl2FN5O — CID 66806287

About 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine

3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine (PubChem CID 66806287) has the molecular formula C27H20Cl2FN5O and a molecular weight of 520.40 g/mol. Its IUPAC name is 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine.

Molecular Properties

• Compound Name: 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine
• PubChem CID: 66806287
• Molecular Formula: C27H20Cl2FN5O
• Molecular Weight: 520.40 g/mol
• Exact Mass: 519.10
• IUPAC Name: 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine
• SMILES: COc1ncccc1Nc1cc2nc3ccc(F)cc3n(-c3ccc(Cl)c(Cl)c3)c-2c/c1=N\C1CC1
• InChI: InChI=1S/C27H20Cl2FN5O/c1-36-27-21(3-2-10-31-27)34-22-13-24-26(14-23(22)32-16-5-6-16)35(17-7-8-18(28)19(29)12-17)25-11-15(30)4-9-20(25)33-24/h2-4,7-14,16,34H,5-6H2,1H3/b32-23+
• InChIKey: DVJHFEGGUAVVAW-AWSUPERCSA-N
• XLogP: 6.79
• TPSA: 64.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.40
LogP ≤ 5	6.79
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 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine?

The IUPAC name of 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine (CID 66806287) is 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine.

What is the SMILES notation for 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine?

The canonical SMILES for 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine is COc1ncccc1Nc1cc2nc3ccc(F)cc3n(-c3ccc(Cl)c(Cl)c3)c-2c/c1=N\C1CC1.

What is the InChIKey of 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine?

The InChIKey is DVJHFEGGUAVVAW-AWSUPERCSA-N. The full InChI is InChI=1S/C27H20Cl2FN5O/c1-36-27-21(3-2-10-31-27)34-22-13-24-26(14-23(22)32-16-5-6-16)35(17-7-8-18(28)19(29)12-17)25-11-15(30)4-9-20(25)33-24/h2-4,7-14,16,34H,5-6H2,1H3/b32-23+.

What are the key properties of 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine?

3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine has a molecular weight of 520.40 g/mol, XLogP of 6.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine is sourced from PubChem (CID 66806287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).