3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine

C31H30FN5O — CID 140651465

IUPAC3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine
SMILESCCOC1CCC(/N=c2\cc3n(-c4ccc(F)cc4)c4ccccc4nc-3cc2Nc2ccccn2)CC1
InChIInChI=1S/C31H30FN5O/c1-2-38-24-16-12-22(13-17-24)34-27-20-30-28(19-26(27)36-31-9-5-6-18-33-31)35-25-7-3-4-8-29(25)37(30)23-14-10-21(32)11-15-23/h3-11,14-15,18-20,22,24H,2,12-13,16-17H2,1H3,(H,33,36)/b34-27+
InChIKeyVMXXMUOTFQGCMC-DNGXXSEMSA-N
MW507.61 g/mol
LogP6.66
Rot. Bonds6

About 3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine

3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine (PubChem CID 140651465) has the molecular formula C31H30FN5O and a molecular weight of 507.61 g/mol. Its IUPAC name is 3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine.

Molecular Properties

Compound Name3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine
PubChem CID140651465
Molecular FormulaC31H30FN5O
Molecular Weight507.61 g/mol
Exact Mass507.24
IUPAC Name3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine
SMILESCCOC1CCC(/N=c2\cc3n(-c4ccc(F)cc4)c4ccccc4nc-3cc2Nc2ccccn2)CC1
InChIInChI=1S/C31H30FN5O/c1-2-38-24-16-12-22(13-17-24)34-27-20-30-28(19-26(27)36-31-9-5-6-18-33-31)35-25-7-3-4-8-29(25)37(30)23-14-10-21(32)11-15-23/h3-11,14-15,18-20,22,24H,2,12-13,16-17H2,1H3,(H,33,36)/b34-27+
InChIKeyVMXXMUOTFQGCMC-DNGXXSEMSA-N
XLogP6.66
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.61
LogP ≤ 56.66
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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Related Compounds

3-cyclohexylimino-5-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)phenazin-2-amine
CID 68624482
5-(4-fluorophenyl)-N-(2-methyl-3-pyridinyl)-3-(thian-4-ylimino)phenazin-2-amine
CID 66805644
3-cyclohexylimino-5-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)phenazin-2-amine
CID 66631986
5-(3,4-difluorophenyl)-3-(4-methoxycyclohexyl)imino-N-(5-nitroso-2-pyridinyl)phenazin-2-amine
CID 87160235
5-(4-bromophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methoxy-3-pyridinyl)phenazin-2-amine
CID 66806302
3-cyclopropylimino-N,5-diphenylphenazin-2-amine
CID 56612122
3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine
CID 66805582
3-cyclopropylimino-N-(2-methoxy-3-pyridinyl)-5-[4-(trifluoromethoxy)phenyl]phenazin-2-amine
CID 66806320
5-(3,4-dichlorophenyl)-3-(4-methoxycyclohexyl)imino-N-(2-methyl-3-pyridinyl)phenazin-2-amine
CID 66805579
3-cyclopropylimino-5-(3,4-dichlorophenyl)-N-(2-methyl-3-pyridinyl)phenazin-2-amine
CID 66805850
3-cyclopropylimino-5-(3,4-dichlorophenyl)-7-fluoro-N-(2-methoxy-3-pyridinyl)phenazin-2-amine
CID 66806287
5-(4-chlorophenyl)-3-cyclohexylimino-N-(2-methyl-3-pyridinyl)phenazin-2-amine
CID 66805676

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine?
The IUPAC name of 3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine (CID 140651465) is 3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine.
What is the SMILES notation for 3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine?
The canonical SMILES for 3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine is CCOC1CCC(/N=c2\cc3n(-c4ccc(F)cc4)c4ccccc4nc-3cc2Nc2ccccn2)CC1.
What is the InChIKey of 3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine?
The InChIKey is VMXXMUOTFQGCMC-DNGXXSEMSA-N. The full InChI is InChI=1S/C31H30FN5O/c1-2-38-24-16-12-22(13-17-24)34-27-20-30-28(19-26(27)36-31-9-5-6-18-33-31)35-25-7-3-4-8-29(25)37(30)23-14-10-21(32)11-15-23/h3-11,14-15,18-20,22,24H,2,12-13,16-17H2,1H3,(H,33,36)/b34-27+.
What are the key properties of 3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine?
3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine has a molecular weight of 507.61 g/mol, XLogP of 6.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxycyclohexyl)imino-5-(4-fluorophenyl)-N-pyridin-2-ylphenazin-2-amine is sourced from PubChem (CID 140651465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).