5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine

C32H34ClN7 — CID 164615139

IUPAC5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine
SMILESCN1CCN(CCCC/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1
InChIInChI=1S/C32H34ClN7/c1-38-17-19-39(20-18-38)16-5-4-15-35-28-22-32-30(21-29(28)36-25-7-6-14-34-23-25)37-27-8-2-3-9-31(27)40(32)26-12-10-24(33)11-13-26/h2-3,6-14,21-23,36H,4-5,15-20H2,1H3/b35-28+
InChIKeyGAEZOXROFYNANS-AWQADKOQSA-N
MW552.13 g/mol
LogP5.85
Rot. Bonds8

About 5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine

5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine (PubChem CID 164615139) has the molecular formula C32H34ClN7 and a molecular weight of 552.13 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine
PubChem CID164615139
Molecular FormulaC32H34ClN7
Molecular Weight552.13 g/mol
Exact Mass551.26
IUPAC Name5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine
SMILESCN1CCN(CCCC/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1
InChIInChI=1S/C32H34ClN7/c1-38-17-19-39(20-18-38)16-5-4-15-35-28-22-32-30(21-29(28)36-25-7-6-14-34-23-25)37-27-8-2-3-9-31(27)40(32)26-12-10-24(33)11-13-26/h2-3,6-14,21-23,36H,4-5,15-20H2,1H3/b35-28+
InChIKeyGAEZOXROFYNANS-AWQADKOQSA-N
XLogP5.85
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.13
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine (CID 164615139) is 5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine is CN1CCN(CCCC/N=c2\cc3n(-c4ccc(Cl)cc4)c4ccccc4nc-3cc2Nc2cccnc2)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine?
The InChIKey is GAEZOXROFYNANS-AWQADKOQSA-N. The full InChI is InChI=1S/C32H34ClN7/c1-38-17-19-39(20-18-38)16-5-4-15-35-28-22-32-30(21-29(28)36-25-7-6-14-34-23-25)37-27-8-2-3-9-31(27)40(32)26-12-10-24(33)11-13-26/h2-3,6-14,21-23,36H,4-5,15-20H2,1H3/b35-28+.
What are the key properties of 5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine?
5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine has a molecular weight of 552.13 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[4-(4-methylpiperazin-1-yl)butylimino]-N-pyridin-3-ylphenazin-2-amine is sourced from PubChem (CID 164615139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).