5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine

C31H30FN5O — CID 66805585

IUPAC5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine
SMILESCOC1CCC(/N=c2\cc3n(-c4ccc(F)cc4)c4ccccc4nc-3cc2Nc2cncc(C)c2)CC1
InChIInChI=1S/C31H30FN5O/c1-20-15-23(19-33-18-20)35-27-16-29-31(17-28(27)34-22-9-13-25(38-2)14-10-22)37(24-11-7-21(32)8-12-24)30-6-4-3-5-26(30)36-29/h3-8,11-12,15-19,22,25,35H,9-10,13-14H2,1-2H3/b34-28+
InChIKeyVGQYBKKPUIIARO-CDSHQWRTSA-N
MW507.61 g/mol
LogP6.57
Rot. Bonds5

About 5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine

5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine (PubChem CID 66805585) has the molecular formula C31H30FN5O and a molecular weight of 507.61 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine
PubChem CID66805585
Molecular FormulaC31H30FN5O
Molecular Weight507.61 g/mol
Exact Mass507.24
IUPAC Name5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine
SMILESCOC1CCC(/N=c2\cc3n(-c4ccc(F)cc4)c4ccccc4nc-3cc2Nc2cncc(C)c2)CC1
InChIInChI=1S/C31H30FN5O/c1-20-15-23(19-33-18-20)35-27-16-29-31(17-28(27)34-22-9-13-25(38-2)14-10-22)37(24-11-7-21(32)8-12-24)30-6-4-3-5-26(30)36-29/h3-8,11-12,15-19,22,25,35H,9-10,13-14H2,1-2H3/b34-28+
InChIKeyVGQYBKKPUIIARO-CDSHQWRTSA-N
XLogP6.57
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.61
LogP ≤ 56.57
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 5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine?
The IUPAC name of 5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine (CID 66805585) is 5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine?
The canonical SMILES for 5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine is COC1CCC(/N=c2\cc3n(-c4ccc(F)cc4)c4ccccc4nc-3cc2Nc2cncc(C)c2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine?
The InChIKey is VGQYBKKPUIIARO-CDSHQWRTSA-N. The full InChI is InChI=1S/C31H30FN5O/c1-20-15-23(19-33-18-20)35-27-16-29-31(17-28(27)34-22-9-13-25(38-2)14-10-22)37(24-11-7-21(32)8-12-24)30-6-4-3-5-26(30)36-29/h3-8,11-12,15-19,22,25,35H,9-10,13-14H2,1-2H3/b34-28+.
What are the key properties of 5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine?
5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine has a molecular weight of 507.61 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-methyl-3-pyridinyl)phenazin-2-amine is sourced from PubChem (CID 66805585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).