3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine

C30H28FN5O — CID 68624482

IUPAC3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine
SMILESCOc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)cc3)c-2c/c1=N\C1CCCCC1
InChIInChI=1S/C30H28FN5O/c1-37-30-24(11-7-17-32-30)35-25-18-27-29(19-26(25)33-21-8-3-2-4-9-21)36(22-15-13-20(31)14-16-22)28-12-6-5-10-23(28)34-27/h5-7,10-19,21,35H,2-4,8-9H2,1H3/b33-26+
InChIKeyIEZJNFUSLYVHNU-MHTZHOPKSA-N
MW493.59 g/mol
LogP6.65
Rot. Bonds5

About 3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine

3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine (PubChem CID 68624482) has the molecular formula C30H28FN5O and a molecular weight of 493.59 g/mol. Its IUPAC name is 3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine.

Molecular Properties

Compound Name3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine
PubChem CID68624482
Molecular FormulaC30H28FN5O
Molecular Weight493.59 g/mol
Exact Mass493.23
IUPAC Name3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine
SMILESCOc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)cc3)c-2c/c1=N\C1CCCCC1
InChIInChI=1S/C30H28FN5O/c1-37-30-24(11-7-17-32-30)35-25-18-27-29(19-26(25)33-21-8-3-2-4-9-21)36(22-15-13-20(31)14-16-22)28-12-6-5-10-23(28)34-27/h5-7,10-19,21,35H,2-4,8-9H2,1H3/b33-26+
InChIKeyIEZJNFUSLYVHNU-MHTZHOPKSA-N
XLogP6.65
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.59
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine?
The IUPAC name of 3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine (CID 68624482) is 3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine.
What is the SMILES notation for 3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine?
The canonical SMILES for 3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine is COc1ncccc1Nc1cc2nc3ccccc3n(-c3ccc(F)cc3)c-2c/c1=N\C1CCCCC1.
What is the InChIKey of 3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine?
The InChIKey is IEZJNFUSLYVHNU-MHTZHOPKSA-N. The full InChI is InChI=1S/C30H28FN5O/c1-37-30-24(11-7-17-32-30)35-25-18-27-29(19-26(25)33-21-8-3-2-4-9-21)36(22-15-13-20(31)14-16-22)28-12-6-5-10-23(28)34-27/h5-7,10-19,21,35H,2-4,8-9H2,1H3/b33-26+.
What are the key properties of 3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine?
3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine has a molecular weight of 493.59 g/mol, XLogP of 6.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine is sourced from PubChem (CID 68624482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).