N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine

C27H21BrClN5 — CID 66805881

IUPACN-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine
SMILESClc1ccc(-n2c3c/c(=N\C4CCC4)c(Nc4cncc(Br)c4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C27H21BrClN5/c28-17-12-20(16-30-15-17)32-23-13-25-27(14-24(23)31-19-4-3-5-19)34(21-10-8-18(29)9-11-21)26-7-2-1-6-22(26)33-25/h1-2,6-16,19,32H,3-5H2/b31-24+
InChIKeyXXKMHVYJCZWMIZ-QFMPWRQOSA-N
MW530.86 g/mol
LogP7.14
Rot. Bonds4

About N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine

N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine (PubChem CID 66805881) has the molecular formula C27H21BrClN5 and a molecular weight of 530.86 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine
PubChem CID66805881
Molecular FormulaC27H21BrClN5
Molecular Weight530.86 g/mol
Exact Mass529.07
IUPAC NameN-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine
SMILESClc1ccc(-n2c3c/c(=N\C4CCC4)c(Nc4cncc(Br)c4)cc-3nc3ccccc32)cc1
InChIInChI=1S/C27H21BrClN5/c28-17-12-20(16-30-15-17)32-23-13-25-27(14-24(23)31-19-4-3-5-19)34(21-10-8-18(29)9-11-21)26-7-2-1-6-22(26)33-25/h1-2,6-16,19,32H,3-5H2/b31-24+
InChIKeyXXKMHVYJCZWMIZ-QFMPWRQOSA-N
XLogP7.14
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.86
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine?
The IUPAC name of N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine (CID 66805881) is N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine?
The canonical SMILES for N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine is Clc1ccc(-n2c3c/c(=N\C4CCC4)c(Nc4cncc(Br)c4)cc-3nc3ccccc32)cc1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine?
The InChIKey is XXKMHVYJCZWMIZ-QFMPWRQOSA-N. The full InChI is InChI=1S/C27H21BrClN5/c28-17-12-20(16-30-15-17)32-23-13-25-27(14-24(23)31-19-4-3-5-19)34(21-10-8-18(29)9-11-21)26-7-2-1-6-22(26)33-25/h1-2,6-16,19,32H,3-5H2/b31-24+.
What are the key properties of N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine?
N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine has a molecular weight of 530.86 g/mol, XLogP of 7.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-pyridinyl)-5-(4-chlorophenyl)-3-cyclobutyliminophenazin-2-amine is sourced from PubChem (CID 66805881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).